N-(7-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanamide

C26H22ClF3N8O3 — CID 171775895

IUPACN-(7-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanamide
SMILESCCC(C(=O)Nc1c[nH]c2c(N)nccc12)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(C(F)(F)F)nn2)cc1=O
InChIInChI=1S/C26H22ClF3N8O3/c1-3-18(25(40)34-17-10-33-23-14(17)6-7-32-24(23)31)37-11-20(41-2)16(9-22(37)39)15-8-13(27)4-5-19(15)38-12-21(35-36-38)26(28,29)30/h4-12,18,33H,3H2,1-2H3,(H2,31,32)(H,34,40)
InChIKeyUOPZVXDKAMTHDN-UHFFFAOYSA-N
MW586.96 g/mol
LogP4.83
Rot. Bonds7

About N-(7-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanamide

N-(7-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanamide (PubChem CID 171775895) has the molecular formula C26H22ClF3N8O3 and a molecular weight of 586.96 g/mol. Its IUPAC name is N-(7-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanamide.

Molecular Properties

Compound NameN-(7-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanamide
PubChem CID171775895
Molecular FormulaC26H22ClF3N8O3
Molecular Weight586.96 g/mol
Exact Mass586.15
IUPAC NameN-(7-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanamide
SMILESCCC(C(=O)Nc1c[nH]c2c(N)nccc12)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(C(F)(F)F)nn2)cc1=O
InChIInChI=1S/C26H22ClF3N8O3/c1-3-18(25(40)34-17-10-33-23-14(17)6-7-32-24(23)31)37-11-20(41-2)16(9-22(37)39)15-8-13(27)4-5-19(15)38-12-21(35-36-38)26(28,29)30/h4-12,18,33H,3H2,1-2H3,(H2,31,32)(H,34,40)
InChIKeyUOPZVXDKAMTHDN-UHFFFAOYSA-N
XLogP4.83
TPSA145.74 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.96
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-(7-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanamide 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 N-(7-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanamide?
The IUPAC name of N-(7-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanamide (CID 171775895) is N-(7-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanamide.
What is the SMILES notation for N-(7-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanamide?
The canonical SMILES for N-(7-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanamide is CCC(C(=O)Nc1c[nH]c2c(N)nccc12)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(C(F)(F)F)nn2)cc1=O.
What is the InChIKey of N-(7-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanamide?
The InChIKey is UOPZVXDKAMTHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF3N8O3/c1-3-18(25(40)34-17-10-33-23-14(17)6-7-32-24(23)31)37-11-20(41-2)16(9-22(37)39)15-8-13(27)4-5-19(15)38-12-21(35-36-38)26(28,29)30/h4-12,18,33H,3H2,1-2H3,(H2,31,32)(H,34,40).
What are the key properties of N-(7-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanamide?
N-(7-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanamide has a molecular weight of 586.96 g/mol, XLogP of 4.83, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanamide is sourced from PubChem (CID 171775895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).