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

C29H18FN7OS — CID 136935752

IUPACN-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1cncc(-c2cc(F)c3[nH]nc(-c4nc5c(-c6ccsc6)nccc5[nH]4)c3c2)c1)c1ccccc1
InChIInChI=1S/C29H18FN7OS/c30-22-12-18(19-10-20(14-31-13-19)33-29(38)16-4-2-1-3-5-16)11-21-25(22)36-37-26(21)28-34-23-6-8-32-24(27(23)35-28)17-7-9-39-15-17/h1-15H,(H,33,38)(H,34,35)(H,36,37)
InChIKeyCTVROZFAYANDDG-UHFFFAOYSA-N
MW531.58 g/mol
LogP6.68
Rot. Bonds5

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

N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide (PubChem CID 136935752) has the molecular formula C29H18FN7OS and a molecular weight of 531.58 g/mol. Its IUPAC name is N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
PubChem CID136935752
Molecular FormulaC29H18FN7OS
Molecular Weight531.58 g/mol
Exact Mass531.13
IUPAC NameN-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1cncc(-c2cc(F)c3[nH]nc(-c4nc5c(-c6ccsc6)nccc5[nH]4)c3c2)c1)c1ccccc1
InChIInChI=1S/C29H18FN7OS/c30-22-12-18(19-10-20(14-31-13-19)33-29(38)16-4-2-1-3-5-16)11-21-25(22)36-37-26(21)28-34-23-6-8-32-24(27(23)35-28)17-7-9-39-15-17/h1-15H,(H,33,38)(H,34,35)(H,36,37)
InChIKeyCTVROZFAYANDDG-UHFFFAOYSA-N
XLogP6.68
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.58
LogP ≤ 56.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The IUPAC name of N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide (CID 136935752) is N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The canonical SMILES for N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide is O=C(Nc1cncc(-c2cc(F)c3[nH]nc(-c4nc5c(-c6ccsc6)nccc5[nH]4)c3c2)c1)c1ccccc1.
What is the InChIKey of N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The InChIKey is CTVROZFAYANDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18FN7OS/c30-22-12-18(19-10-20(14-31-13-19)33-29(38)16-4-2-1-3-5-16)11-21-25(22)36-37-26(21)28-34-23-6-8-32-24(27(23)35-28)17-7-9-39-15-17/h1-15H,(H,33,38)(H,34,35)(H,36,37).
What are the key properties of N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide?
N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide has a molecular weight of 531.58 g/mol, XLogP of 6.68, 5 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-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 136935752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).