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

C30H19F2N7OS — CID 136935832

IUPACN-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccc(F)s6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C30H19F2N7OS/c31-21-13-17(18-11-19(15-33-14-18)35-25(40)10-16-4-2-1-3-5-16)12-20-26(21)38-39-27(20)30-36-22-8-9-34-29(28(22)37-30)23-6-7-24(32)41-23/h1-9,11-15H,10H2,(H,35,40)(H,36,37)(H,38,39)
InChIKeyYNKVJTZSZHSOJT-UHFFFAOYSA-N
MW563.59 g/mol
LogP6.75
Rot. Bonds6

About N-[5-[7-fluoro-3-[4-(5-fluorothiophen-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-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide (PubChem CID 136935832) has the molecular formula C30H19F2N7OS and a molecular weight of 563.59 g/mol. Its IUPAC name is N-[5-[7-fluoro-3-[4-(5-fluorothiophen-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-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
PubChem CID136935832
Molecular FormulaC30H19F2N7OS
Molecular Weight563.59 g/mol
Exact Mass563.13
IUPAC NameN-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccc(F)s6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C30H19F2N7OS/c31-21-13-17(18-11-19(15-33-14-18)35-25(40)10-16-4-2-1-3-5-16)12-20-26(21)38-39-27(20)30-36-22-8-9-34-29(28(22)37-30)23-6-7-24(32)41-23/h1-9,11-15H,10H2,(H,35,40)(H,36,37)(H,38,39)
InChIKeyYNKVJTZSZHSOJT-UHFFFAOYSA-N
XLogP6.75
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.59
LogP ≤ 56.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[5-[7-fluoro-3-[4-(5-fluorothiophen-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-fluorothiophen-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-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide (CID 136935832) is N-[5-[7-fluoro-3-[4-(5-fluorothiophen-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-fluorothiophen-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-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccc(F)s6)nccc5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide?
The InChIKey is YNKVJTZSZHSOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19F2N7OS/c31-21-13-17(18-11-19(15-33-14-18)35-25(40)10-16-4-2-1-3-5-16)12-20-26(21)38-39-27(20)30-36-22-8-9-34-29(28(22)37-30)23-6-7-24(32)41-23/h1-9,11-15H,10H2,(H,35,40)(H,36,37)(H,38,39).
What are the key properties of N-[5-[7-fluoro-3-[4-(5-fluorothiophen-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-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide has a molecular weight of 563.59 g/mol, XLogP of 6.75, 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-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 136935832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).