N-[(1R,2R)-2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C24H26F3N5O — CID 174168226

IUPACN-[(1R,2R)-2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc2c(c1)CC[C@@H](N1C[C@H]3COC[C@H]3C1)[C@@H]2Nc1ncnc2[nH]c(C(F)(F)F)cc12
InChIInChI=1S/C24H26F3N5O/c1-13-2-4-17-14(6-13)3-5-19(32-8-15-10-33-11-16(15)9-32)21(17)31-23-18-7-20(24(25,26)27)30-22(18)28-12-29-23/h2,4,6-7,12,15-16,19,21H,3,5,8-11H2,1H3,(H2,28,29,30,31)/t15-,16+,19-,21-/m1/s1
InChIKeyGXWLVDVBSKJOAN-NNNWTRQLSA-N
MW457.50 g/mol
LogP4.33
Rot. Bonds3

About N-[(1R,2R)-2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[(1R,2R)-2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 174168226) has the molecular formula C24H26F3N5O and a molecular weight of 457.50 g/mol. Its IUPAC name is N-[(1R,2R)-2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R,2R)-2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID174168226
Molecular FormulaC24H26F3N5O
Molecular Weight457.50 g/mol
Exact Mass457.21
IUPAC NameN-[(1R,2R)-2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc2c(c1)CC[C@@H](N1C[C@H]3COC[C@H]3C1)[C@@H]2Nc1ncnc2[nH]c(C(F)(F)F)cc12
InChIInChI=1S/C24H26F3N5O/c1-13-2-4-17-14(6-13)3-5-19(32-8-15-10-33-11-16(15)9-32)21(17)31-23-18-7-20(24(25,26)27)30-22(18)28-12-29-23/h2,4,6-7,12,15-16,19,21H,3,5,8-11H2,1H3,(H2,28,29,30,31)/t15-,16+,19-,21-/m1/s1
InChIKeyGXWLVDVBSKJOAN-NNNWTRQLSA-N
XLogP4.33
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2R)-2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-methyl-1-(oxolan-3-ylmethyl)-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinoline
CID 168279934
N-[(1S,2R)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155187408
N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155187589
(1S,2S)-2-N,2-N-dimethyl-1-N-[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 155187604
N-methyl-N-(oxan-4-ylmethyl)-6-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 171513278
6-[4-(difluoromethyl)phenyl]-N-methyl-N-(oxan-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 171513447
N-[(1S,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155187455
[(1S,2R)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 155187493
[(1R,2S)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 155187500
N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155187588
N-[(1S,2S)-2-[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-6-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156837758
N-[(1S,2R)-2-(oxan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156837766

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R,2R)-2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 174168226) is N-[(1R,2R)-2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R,2R)-2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R,2R)-2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1ccc2c(c1)CC[C@@H](N1C[C@H]3COC[C@H]3C1)[C@@H]2Nc1ncnc2[nH]c(C(F)(F)F)cc12.
What is the InChIKey of N-[(1R,2R)-2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is GXWLVDVBSKJOAN-NNNWTRQLSA-N. The full InChI is InChI=1S/C24H26F3N5O/c1-13-2-4-17-14(6-13)3-5-19(32-8-15-10-33-11-16(15)9-32)21(17)31-23-18-7-20(24(25,26)27)30-22(18)28-12-29-23/h2,4,6-7,12,15-16,19,21H,3,5,8-11H2,1H3,(H2,28,29,30,31)/t15-,16+,19-,21-/m1/s1.
What are the key properties of N-[(1R,2R)-2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[(1R,2R)-2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 457.50 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 174168226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).