(3R)-4-[6-[1-(3,3-difluoropiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine

C108H125F6N27O5 — CID 167618491

IUPAC(3R)-4-[6-[1-(3,3-difluoropiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
SMILESCc1nn(C2CCNCC2(F)F)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cc(F)cc3[nH]ccc23)n1.Cc1nn(CC2(C)COC2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cc(F)cc3[nH]ccc23)n1.Cc1nn(C[C@@H]2CCCN2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cc(F)cc3[nH]ccc23)n1.Cc1nn(C[C@H]2CCCN2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cc(F)cc3[nH]ccc23)n1
InChIInChI=1S/C27H30F3N7O.2C27H32FN7O.C27H31FN6O2/c1-15-13-38-9-8-36(15)24-12-22(33-26(34-24)20-10-18(28)11-21-19(20)4-7-32-21)25-16(2)35-37(17(25)3)23-5-6-31-14-27(23,29)30;2*1-16-15-36-10-9-34(16)25-13-24(26-17(2)33-35(18(26)3)14-20-5-4-7-29-20)31-27(32-25)22-11-19(28)12-23-21(22)6-8-30-23;1-16-12-35-8-7-33(16)24-11-23(25-17(2)32-34(18(25)3)13-27(4)14-36-15-27)30-26(31-24)21-9-19(28)10-22-20(21)5-6-29-22/h4,7,10-12,15,23,31-32H,5-6,8-9,13-14H2,1-3H3;2*6,8,11-13,16,20,29-30H,4-5,7,9-10,14-15H2,1-3H3;5-6,9-11,16,29H,7-8,12-15H2,1-4H3/t15-,23?;16-,20+;16-,20-;16-/m1111/s1
InChIKeyMCEFDJGKGLRFKB-QDLBRHSWSA-N
MW1995.36 g/mol
LogP17.59
Rot. Bonds19

About (3R)-4-[6-[1-(3,3-difluoropiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine

(3R)-4-[6-[1-(3,3-difluoropiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 167618491) has the molecular formula C108H125F6N27O5 and a molecular weight of 1995.36 g/mol. Its IUPAC name is (3R)-4-[6-[1-(3,3-difluoropiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[6-[1-(3,3-difluoropiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
PubChem CID167618491
Molecular FormulaC108H125F6N27O5
Molecular Weight1995.36 g/mol
Exact Mass1994.03
IUPAC Name(3R)-4-[6-[1-(3,3-difluoropiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
SMILESCc1nn(C2CCNCC2(F)F)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cc(F)cc3[nH]ccc23)n1.Cc1nn(CC2(C)COC2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cc(F)cc3[nH]ccc23)n1.Cc1nn(C[C@@H]2CCCN2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cc(F)cc3[nH]ccc23)n1.Cc1nn(C[C@H]2CCCN2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cc(F)cc3[nH]ccc23)n1
InChIInChI=1S/C27H30F3N7O.2C27H32FN7O.C27H31FN6O2/c1-15-13-38-9-8-36(15)24-12-22(33-26(34-24)20-10-18(28)11-21-19(20)4-7-32-21)25-16(2)35-37(17(25)3)23-5-6-31-14-27(23,29)30;2*1-16-15-36-10-9-34(16)25-13-24(26-17(2)33-35(18(26)3)14-20-5-4-7-29-20)31-27(32-25)22-11-19(28)12-23-21(22)6-8-30-23;1-16-12-35-8-7-33(16)24-11-23(25-17(2)32-34(18(25)3)13-27(4)14-36-15-27)30-26(31-24)21-9-19(28)10-22-20(21)5-6-29-22/h4,7,10-12,15,23,31-32H,5-6,8-9,13-14H2,1-3H3;2*6,8,11-13,16,20,29-30H,4-5,7,9-10,14-15H2,1-3H3;5-6,9-11,16,29H,7-8,12-15H2,1-4H3/t15-,23?;16-,20+;16-,20-;16-/m1111/s1
InChIKeyMCEFDJGKGLRFKB-QDLBRHSWSA-N
XLogP17.59
TPSA332.76 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds19
Heavy Atoms146
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001995.36
LogP ≤ 517.59
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Analyze (3R)-4-[6-[1-(3,3-difluoropiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[6-[1-(3,3-difluoropiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[6-[1-(3,3-difluoropiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine (CID 167618491) is (3R)-4-[6-[1-(3,3-difluoropiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[6-[1-(3,3-difluoropiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[6-[1-(3,3-difluoropiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine is Cc1nn(C2CCNCC2(F)F)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cc(F)cc3[nH]ccc23)n1.Cc1nn(CC2(C)COC2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cc(F)cc3[nH]ccc23)n1.Cc1nn(C[C@@H]2CCCN2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cc(F)cc3[nH]ccc23)n1.Cc1nn(C[C@H]2CCCN2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cc(F)cc3[nH]ccc23)n1.
What is the InChIKey of (3R)-4-[6-[1-(3,3-difluoropiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is MCEFDJGKGLRFKB-QDLBRHSWSA-N. The full InChI is InChI=1S/C27H30F3N7O.2C27H32FN7O.C27H31FN6O2/c1-15-13-38-9-8-36(15)24-12-22(33-26(34-24)20-10-18(28)11-21-19(20)4-7-32-21)25-16(2)35-37(17(25)3)23-5-6-31-14-27(23,29)30;2*1-16-15-36-10-9-34(16)25-13-24(26-17(2)33-35(18(26)3)14-20-5-4-7-29-20)31-27(32-25)22-11-19(28)12-23-21(22)6-8-30-23;1-16-12-35-8-7-33(16)24-11-23(25-17(2)32-34(18(25)3)13-27(4)14-36-15-27)30-26(31-24)21-9-19(28)10-22-20(21)5-6-29-22/h4,7,10-12,15,23,31-32H,5-6,8-9,13-14H2,1-3H3;2*6,8,11-13,16,20,29-30H,4-5,7,9-10,14-15H2,1-3H3;5-6,9-11,16,29H,7-8,12-15H2,1-4H3/t15-,23?;16-,20+;16-,20-;16-/m1111/s1.
What are the key properties of (3R)-4-[6-[1-(3,3-difluoropiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
(3R)-4-[6-[1-(3,3-difluoropiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 1995.36 g/mol, XLogP of 17.59, 19 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[6-[1-(3,3-difluoropiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 167618491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).