(9S)-5-[2-[(1R)-2,2-difluorocyclopropyl]acetyl]-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide

C22H21F2N7O2 — CID 147596415

IUPAC(9S)-5-[2-[(1R)-2,2-difluorocyclopropyl]acetyl]-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
SMILESCc1ccc2c(NC(=O)N3c4nc(C(=O)C[C@@H]5CC5(F)F)ccc4N4CC[C@H]3C4)n[nH]c2n1
InChIInChI=1S/C22H21F2N7O2/c1-11-2-3-14-18(25-11)28-29-19(14)27-21(33)31-13-6-7-30(10-13)16-5-4-15(26-20(16)31)17(32)8-12-9-22(12,23)24/h2-5,12-13H,6-10H2,1H3,(H2,25,27,28,29,33)/t12-,13+/m1/s1
InChIKeyFZGVQFHIJPJZPD-OLZOCXBDSA-N
MW453.45 g/mol
LogP3.52
Rot. Bonds4

About (9S)-5-[2-[(1R)-2,2-difluorocyclopropyl]acetyl]-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide

(9S)-5-[2-[(1R)-2,2-difluorocyclopropyl]acetyl]-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide (PubChem CID 147596415) has the molecular formula C22H21F2N7O2 and a molecular weight of 453.45 g/mol. Its IUPAC name is (9S)-5-[2-[(1R)-2,2-difluorocyclopropyl]acetyl]-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide.

Molecular Properties

Compound Name(9S)-5-[2-[(1R)-2,2-difluorocyclopropyl]acetyl]-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
PubChem CID147596415
Molecular FormulaC22H21F2N7O2
Molecular Weight453.45 g/mol
Exact Mass453.17
IUPAC Name(9S)-5-[2-[(1R)-2,2-difluorocyclopropyl]acetyl]-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
SMILESCc1ccc2c(NC(=O)N3c4nc(C(=O)C[C@@H]5CC5(F)F)ccc4N4CC[C@H]3C4)n[nH]c2n1
InChIInChI=1S/C22H21F2N7O2/c1-11-2-3-14-18(25-11)28-29-19(14)27-21(33)31-13-6-7-30(10-13)16-5-4-15(26-20(16)31)17(32)8-12-9-22(12,23)24/h2-5,12-13H,6-10H2,1H3,(H2,25,27,28,29,33)/t12-,13+/m1/s1
InChIKeyFZGVQFHIJPJZPD-OLZOCXBDSA-N
XLogP3.52
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (9S)-5-[2-[(1R)-2,2-difluorocyclopropyl]acetyl]-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide 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

5,7-dimethyl-1-[2-oxo-2-[(1R,3S,5R)-3-[[6-(trifluoromethyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 72720769
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 90683964
(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[4-(trifluoromethyl)pyrimidin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 118796779
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide
CID 156811192
8-N-(6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-N-(2,2,2-trifluoroethyl)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-5,8-dicarboxamide
CID 121351661
(9S)-8-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4,5-dicarboxamide
CID 121351664
(9S)-8-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-5-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide
CID 121352174
(9S)-8-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-5-N-(1,1,1-trifluoropropan-2-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide
CID 121352176
4-chloro-8-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-5,8-dicarboxamide
CID 121352751
4-chloro-8-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-5-N-(1,1,1-trifluoropropan-2-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-5,8-dicarboxamide
CID 121352754
(9S)-8-N-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)-5-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide
CID 121357631
(9S)-8-N-(6-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-N-(2,2,2-trifluoroethyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide
CID 121357982

Frequently Asked Questions

What is the IUPAC name of (9S)-5-[2-[(1R)-2,2-difluorocyclopropyl]acetyl]-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
The IUPAC name of (9S)-5-[2-[(1R)-2,2-difluorocyclopropyl]acetyl]-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide (CID 147596415) is (9S)-5-[2-[(1R)-2,2-difluorocyclopropyl]acetyl]-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide.
What is the SMILES notation for (9S)-5-[2-[(1R)-2,2-difluorocyclopropyl]acetyl]-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
The canonical SMILES for (9S)-5-[2-[(1R)-2,2-difluorocyclopropyl]acetyl]-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide is Cc1ccc2c(NC(=O)N3c4nc(C(=O)C[C@@H]5CC5(F)F)ccc4N4CC[C@H]3C4)n[nH]c2n1.
What is the InChIKey of (9S)-5-[2-[(1R)-2,2-difluorocyclopropyl]acetyl]-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
The InChIKey is FZGVQFHIJPJZPD-OLZOCXBDSA-N. The full InChI is InChI=1S/C22H21F2N7O2/c1-11-2-3-14-18(25-11)28-29-19(14)27-21(33)31-13-6-7-30(10-13)16-5-4-15(26-20(16)31)17(32)8-12-9-22(12,23)24/h2-5,12-13H,6-10H2,1H3,(H2,25,27,28,29,33)/t12-,13+/m1/s1.
What are the key properties of (9S)-5-[2-[(1R)-2,2-difluorocyclopropyl]acetyl]-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
(9S)-5-[2-[(1R)-2,2-difluorocyclopropyl]acetyl]-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide has a molecular weight of 453.45 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-5-[2-[(1R)-2,2-difluorocyclopropyl]acetyl]-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide is sourced from PubChem (CID 147596415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).