(1R)-3,3-difluoro-N-[[3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]methyl]cyclopentan-1-amine

C26H26F5N7O — CID 171503377

IUPAC(1R)-3,3-difluoro-N-[[3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]methyl]cyclopentan-1-amine
SMILESCn1cnnc1CC1(c2cccc(-c3n[nH]c4c(CN[C@@H]5CCC(F)(F)C5)nc(C(F)(F)F)cc34)c2)COC1
InChIInChI=1S/C26H26F5N7O/c1-38-14-33-35-21(38)10-24(12-39-13-24)16-4-2-3-15(7-16)22-18-8-20(26(29,30)31)34-19(23(18)37-36-22)11-32-17-5-6-25(27,28)9-17/h2-4,7-8,14,17,32H,5-6,9-13H2,1H3,(H,36,37)/t17-/m1/s1
InChIKeyFHNDRWSGXCMBFQ-QGZVFWFLSA-N
MW547.53 g/mol
LogP4.56
Rot. Bonds7

About (1R)-3,3-difluoro-N-[[3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]methyl]cyclopentan-1-amine

(1R)-3,3-difluoro-N-[[3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]methyl]cyclopentan-1-amine (PubChem CID 171503377) has the molecular formula C26H26F5N7O and a molecular weight of 547.53 g/mol. Its IUPAC name is (1R)-3,3-difluoro-N-[[3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name(1R)-3,3-difluoro-N-[[3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]methyl]cyclopentan-1-amine
PubChem CID171503377
Molecular FormulaC26H26F5N7O
Molecular Weight547.53 g/mol
Exact Mass547.21
IUPAC Name(1R)-3,3-difluoro-N-[[3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]methyl]cyclopentan-1-amine
SMILESCn1cnnc1CC1(c2cccc(-c3n[nH]c4c(CN[C@@H]5CCC(F)(F)C5)nc(C(F)(F)F)cc34)c2)COC1
InChIInChI=1S/C26H26F5N7O/c1-38-14-33-35-21(38)10-24(12-39-13-24)16-4-2-3-15(7-16)22-18-8-20(26(29,30)31)34-19(23(18)37-36-22)11-32-17-5-6-25(27,28)9-17/h2-4,7-8,14,17,32H,5-6,9-13H2,1H3,(H,36,37)/t17-/m1/s1
InChIKeyFHNDRWSGXCMBFQ-QGZVFWFLSA-N
XLogP4.56
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.53
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1R)-3,3-difluoro-N-[[3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]methyl]cyclopentan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3-difluoro-N-[[3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]methyl]cyclopentan-1-amine?
The IUPAC name of (1R)-3,3-difluoro-N-[[3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]methyl]cyclopentan-1-amine (CID 171503377) is (1R)-3,3-difluoro-N-[[3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for (1R)-3,3-difluoro-N-[[3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for (1R)-3,3-difluoro-N-[[3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]methyl]cyclopentan-1-amine is Cn1cnnc1CC1(c2cccc(-c3n[nH]c4c(CN[C@@H]5CCC(F)(F)C5)nc(C(F)(F)F)cc34)c2)COC1.
What is the InChIKey of (1R)-3,3-difluoro-N-[[3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]methyl]cyclopentan-1-amine?
The InChIKey is FHNDRWSGXCMBFQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H26F5N7O/c1-38-14-33-35-21(38)10-24(12-39-13-24)16-4-2-3-15(7-16)22-18-8-20(26(29,30)31)34-19(23(18)37-36-22)11-32-17-5-6-25(27,28)9-17/h2-4,7-8,14,17,32H,5-6,9-13H2,1H3,(H,36,37)/t17-/m1/s1.
What are the key properties of (1R)-3,3-difluoro-N-[[3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]methyl]cyclopentan-1-amine?
(1R)-3,3-difluoro-N-[[3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]methyl]cyclopentan-1-amine has a molecular weight of 547.53 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3-difluoro-N-[[3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazolo[3,4-c]pyridin-7-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 171503377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).