6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenylpyrimidin-4-amine;5-fluoro-6-(5-fluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine

C122H125F9N26O4 — CID 157385867

IUPAC6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenylpyrimidin-4-amine;5-fluoro-6-(5-fluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine
SMILESCC1C2CCC(CC2)C1Nc1cc(-c2ccc(N3CCCC3)o2)nc(-c2c[nH]c3ncc(F)cc23)n1.CC1C2CCC(CC2)C1Nc1cc(-c2oc(F)cc2F)nc(-c2c[nH]c3ncc(F)cc23)n1.CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc(-c2ccc(F)o2)c1F.CC[C@@H](Nc1cc(-c2ccccc2)nc(-c2c[nH]c3ncc(F)cc23)n1)C(C)(C)C.CC[C@@H](Nc1cc(-c2ccco2)nc(-c2c[nH]c3ncc(F)cc23)n1)C(C)(C)C
InChIInChI=1S/C28H31FN6O.2C24H22F3N5O.C24H26FN5.C22H24FN5O/c1-16-17-4-6-18(7-5-17)26(16)33-24-13-22(23-8-9-25(36-23)35-10-2-3-11-35)32-28(34-24)21-15-31-27-20(21)12-19(29)14-30-27;1-11-12-2-4-13(5-3-12)21(11)31-20-8-18(22-17(26)7-19(27)33-22)30-24(32-20)16-10-29-23-15(16)6-14(25)9-28-23;1-11-12-2-4-13(5-3-12)20(11)30-24-19(27)21(17-6-7-18(26)33-17)31-23(32-24)16-10-29-22-15(16)8-14(25)9-28-22;1-5-20(24(2,3)4)29-21-12-19(15-9-7-6-8-10-15)28-23(30-21)18-14-27-22-17(18)11-16(25)13-26-22;1-5-18(22(2,3)4)27-19-10-16(17-7-6-8-29-17)26-21(28-19)15-12-25-20-14(15)9-13(23)11-24-20/h8-9,12-18,26H,2-7,10-11H2,1H3,(H,30,31)(H,32,33,34);6-13,21H,2-5H2,1H3,(H,28,29)(H,30,31,32);6-13,20H,2-5H2,1H3,(H,28,29)(H,30,31,32);6-14,20H,5H2,1-4H3,(H,26,27)(H,28,29,30);6-12,18H,5H2,1-4H3,(H,24,25)(H,26,27,28)/t;;;20-;18-/m...11/s1
InChIKeyBLKOAXVYPTWHPR-YMZXWDRBSA-N
MW2190.50 g/mol
LogP29.84
Rot. Bonds23

About 6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenylpyrimidin-4-amine;5-fluoro-6-(5-fluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine

6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenylpyrimidin-4-amine;5-fluoro-6-(5-fluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine (PubChem CID 157385867) has the molecular formula C122H125F9N26O4 and a molecular weight of 2190.50 g/mol. Its IUPAC name is 6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenylpyrimidin-4-amine;5-fluoro-6-(5-fluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenylpyrimidin-4-amine;5-fluoro-6-(5-fluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine
PubChem CID157385867
Molecular FormulaC122H125F9N26O4
Molecular Weight2190.50 g/mol
Exact Mass2189.02
IUPAC Name6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenylpyrimidin-4-amine;5-fluoro-6-(5-fluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine
SMILESCC1C2CCC(CC2)C1Nc1cc(-c2ccc(N3CCCC3)o2)nc(-c2c[nH]c3ncc(F)cc23)n1.CC1C2CCC(CC2)C1Nc1cc(-c2oc(F)cc2F)nc(-c2c[nH]c3ncc(F)cc23)n1.CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc(-c2ccc(F)o2)c1F.CC[C@@H](Nc1cc(-c2ccccc2)nc(-c2c[nH]c3ncc(F)cc23)n1)C(C)(C)C.CC[C@@H](Nc1cc(-c2ccco2)nc(-c2c[nH]c3ncc(F)cc23)n1)C(C)(C)C
InChIInChI=1S/C28H31FN6O.2C24H22F3N5O.C24H26FN5.C22H24FN5O/c1-16-17-4-6-18(7-5-17)26(16)33-24-13-22(23-8-9-25(36-23)35-10-2-3-11-35)32-28(34-24)21-15-31-27-20(21)12-19(29)14-30-27;1-11-12-2-4-13(5-3-12)21(11)31-20-8-18(22-17(26)7-19(27)33-22)30-24(32-20)16-10-29-23-15(16)6-14(25)9-28-23;1-11-12-2-4-13(5-3-12)20(11)30-24-19(27)21(17-6-7-18(26)33-17)31-23(32-24)16-10-29-22-15(16)8-14(25)9-28-22;1-5-20(24(2,3)4)29-21-12-19(15-9-7-6-8-10-15)28-23(30-21)18-14-27-22-17(18)11-16(25)13-26-22;1-5-18(22(2,3)4)27-19-10-16(17-7-6-8-29-17)26-21(28-19)15-12-25-20-14(15)9-13(23)11-24-20/h8-9,12-18,26H,2-7,10-11H2,1H3,(H,30,31)(H,32,33,34);6-13,21H,2-5H2,1H3,(H,28,29)(H,30,31,32);6-13,20H,2-5H2,1H3,(H,28,29)(H,30,31,32);6-14,20H,5H2,1-4H3,(H,26,27)(H,28,29,30);6-12,18H,5H2,1-4H3,(H,24,25)(H,26,27,28)/t;;;20-;18-/m...11/s1
InChIKeyBLKOAXVYPTWHPR-YMZXWDRBSA-N
XLogP29.84
TPSA388.25 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds23
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002190.50
LogP ≤ 529.84
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze 6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenylpyrimidin-4-amine;5-fluoro-6-(5-fluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 129228639
3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[5-(1-methylpyrrol-2-yl)furan-2-yl]pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 129228799
N-[(2R)-2-bicyclo[2.2.2]octanyl]-2-(6-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine
CID 129228800
3-[[5-fluoro-2-(6-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 129228801
3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(4-phenylfuran-2-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 129228802
3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(5-pyrrol-1-ylfuran-2-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 129228803
3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(5-morpholin-4-ylfuran-2-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 129228804
3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[5-(4-methylpiperazin-1-yl)furan-2-yl]pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 129228807
3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 129228812
(2S,3S)-3-[[2-(6-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 129228846
(2S,3S)-3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 137352158
N-(2-bicyclo[2.2.2]octanyl)-2-(5,7-difluoro-1H-indol-3-yl)-6-(furan-2-yl)pyrimidin-4-amine
CID 142287797

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenylpyrimidin-4-amine;5-fluoro-6-(5-fluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenylpyrimidin-4-amine;5-fluoro-6-(5-fluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine (CID 157385867) is 6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenylpyrimidin-4-amine;5-fluoro-6-(5-fluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenylpyrimidin-4-amine;5-fluoro-6-(5-fluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenylpyrimidin-4-amine;5-fluoro-6-(5-fluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine is CC1C2CCC(CC2)C1Nc1cc(-c2ccc(N3CCCC3)o2)nc(-c2c[nH]c3ncc(F)cc23)n1.CC1C2CCC(CC2)C1Nc1cc(-c2oc(F)cc2F)nc(-c2c[nH]c3ncc(F)cc23)n1.CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc(-c2ccc(F)o2)c1F.CC[C@@H](Nc1cc(-c2ccccc2)nc(-c2c[nH]c3ncc(F)cc23)n1)C(C)(C)C.CC[C@@H](Nc1cc(-c2ccco2)nc(-c2c[nH]c3ncc(F)cc23)n1)C(C)(C)C.
What is the InChIKey of 6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenylpyrimidin-4-amine;5-fluoro-6-(5-fluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine?
The InChIKey is BLKOAXVYPTWHPR-YMZXWDRBSA-N. The full InChI is InChI=1S/C28H31FN6O.2C24H22F3N5O.C24H26FN5.C22H24FN5O/c1-16-17-4-6-18(7-5-17)26(16)33-24-13-22(23-8-9-25(36-23)35-10-2-3-11-35)32-28(34-24)21-15-31-27-20(21)12-19(29)14-30-27;1-11-12-2-4-13(5-3-12)21(11)31-20-8-18(22-17(26)7-19(27)33-22)30-24(32-20)16-10-29-23-15(16)6-14(25)9-28-23;1-11-12-2-4-13(5-3-12)20(11)30-24-19(27)21(17-6-7-18(26)33-17)31-23(32-24)16-10-29-22-15(16)8-14(25)9-28-22;1-5-20(24(2,3)4)29-21-12-19(15-9-7-6-8-10-15)28-23(30-21)18-14-27-22-17(18)11-16(25)13-26-22;1-5-18(22(2,3)4)27-19-10-16(17-7-6-8-29-17)26-21(28-19)15-12-25-20-14(15)9-13(23)11-24-20/h8-9,12-18,26H,2-7,10-11H2,1H3,(H,30,31)(H,32,33,34);6-13,21H,2-5H2,1H3,(H,28,29)(H,30,31,32);6-13,20H,2-5H2,1H3,(H,28,29)(H,30,31,32);6-14,20H,5H2,1-4H3,(H,26,27)(H,28,29,30);6-12,18H,5H2,1-4H3,(H,24,25)(H,26,27,28)/t;;;20-;18-/m...11/s1.
What are the key properties of 6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenylpyrimidin-4-amine;5-fluoro-6-(5-fluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine?
6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenylpyrimidin-4-amine;5-fluoro-6-(5-fluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine has a molecular weight of 2190.50 g/mol, XLogP of 29.84, 23 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine;N-[(3R)-2,2-dimethylpentan-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenylpyrimidin-4-amine;5-fluoro-6-(5-fluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 157385867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).