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

C31H22FN7OS — CID 136935855

IUPACN-[5-[7-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
SMILESCc1ccc(-c2nccc3[nH]c(-c4[nH]nc5c(F)cc(-c6cncc(NC(=O)Cc7ccccc7)c6)cc45)nc23)s1
InChIInChI=1S/C31H22FN7OS/c1-17-7-8-25(41-17)30-29-24(9-10-34-30)36-31(37-29)28-22-13-19(14-23(32)27(22)38-39-28)20-12-21(16-33-15-20)35-26(40)11-18-5-3-2-4-6-18/h2-10,12-16H,11H2,1H3,(H,35,40)(H,36,37)(H,38,39)
InChIKeyCVUGTOXABXJPGP-UHFFFAOYSA-N
MW559.63 g/mol
LogP6.92
Rot. Bonds6

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

N-[5-[7-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide (PubChem CID 136935855) has the molecular formula C31H22FN7OS and a molecular weight of 559.63 g/mol. Its IUPAC name is N-[5-[7-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-[7-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
PubChem CID136935855
Molecular FormulaC31H22FN7OS
Molecular Weight559.63 g/mol
Exact Mass559.16
IUPAC NameN-[5-[7-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
SMILESCc1ccc(-c2nccc3[nH]c(-c4[nH]nc5c(F)cc(-c6cncc(NC(=O)Cc7ccccc7)c6)cc45)nc23)s1
InChIInChI=1S/C31H22FN7OS/c1-17-7-8-25(41-17)30-29-24(9-10-34-30)36-31(37-29)28-22-13-19(14-23(32)27(22)38-39-28)20-12-21(16-33-15-20)35-26(40)11-18-5-3-2-4-6-18/h2-10,12-16H,11H2,1H3,(H,35,40)(H,36,37)(H,38,39)
InChIKeyCVUGTOXABXJPGP-UHFFFAOYSA-N
XLogP6.92
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.63
LogP ≤ 56.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[5-[7-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[7-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[5-[7-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide (CID 136935855) is N-[5-[7-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[5-[7-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[5-[7-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide is Cc1ccc(-c2nccc3[nH]c(-c4[nH]nc5c(F)cc(-c6cncc(NC(=O)Cc7ccccc7)c6)cc45)nc23)s1.
What is the InChIKey of N-[5-[7-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide?
The InChIKey is CVUGTOXABXJPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22FN7OS/c1-17-7-8-25(41-17)30-29-24(9-10-34-30)36-31(37-29)28-22-13-19(14-23(32)27(22)38-39-28)20-12-21(16-33-15-20)35-26(40)11-18-5-3-2-4-6-18/h2-10,12-16H,11H2,1H3,(H,35,40)(H,36,37)(H,38,39).
What are the key properties of N-[5-[7-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide?
N-[5-[7-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide has a molecular weight of 559.63 g/mol, XLogP of 6.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 136935855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).