N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]propanamide

C27H20FN7O2S — CID 136935872

IUPACN-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccc(C(C)=O)s6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C27H20FN7O2S/c1-3-22(37)31-16-8-15(11-29-12-16)14-9-17-23(18(28)10-14)34-35-24(17)27-32-19-6-7-30-26(25(19)33-27)21-5-4-20(38-21)13(2)36/h4-12H,3H2,1-2H3,(H,31,37)(H,32,33)(H,34,35)
InChIKeyUGIMEKNVVZKUDS-UHFFFAOYSA-N
MW525.57 g/mol
LogP5.98
Rot. Bonds6

About N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]propanamide

N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]propanamide (PubChem CID 136935872) has the molecular formula C27H20FN7O2S and a molecular weight of 525.57 g/mol. Its IUPAC name is N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]propanamide
PubChem CID136935872
Molecular FormulaC27H20FN7O2S
Molecular Weight525.57 g/mol
Exact Mass525.14
IUPAC NameN-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccc(C(C)=O)s6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C27H20FN7O2S/c1-3-22(37)31-16-8-15(11-29-12-16)14-9-17-23(18(28)10-14)34-35-24(17)27-32-19-6-7-30-26(25(19)33-27)21-5-4-20(38-21)13(2)36/h4-12H,3H2,1-2H3,(H,31,37)(H,32,33)(H,34,35)
InChIKeyUGIMEKNVVZKUDS-UHFFFAOYSA-N
XLogP5.98
TPSA129.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.57
LogP ≤ 55.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]propanamide 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-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]propanamide?
The IUPAC name of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]propanamide (CID 136935872) is N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]propanamide?
The canonical SMILES for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]propanamide is CCC(=O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccc(C(C)=O)s6)nccc5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]propanamide?
The InChIKey is UGIMEKNVVZKUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN7O2S/c1-3-22(37)31-16-8-15(11-29-12-16)14-9-17-23(18(28)10-14)34-35-24(17)27-32-19-6-7-30-26(25(19)33-27)21-5-4-20(38-21)13(2)36/h4-12H,3H2,1-2H3,(H,31,37)(H,32,33)(H,34,35).
What are the key properties of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]propanamide?
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]propanamide has a molecular weight of 525.57 g/mol, XLogP of 5.98, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 136935872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).