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

C31H20FN7O2S — CID 136935885

IUPACN-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-1H-indazol-5-yl]-3-pyridinyl]benzamide
SMILESCC(=O)c1ccc(-c2nccc3[nH]c(-c4n[nH]c5c(F)cc(-c6cncc(NC(=O)c7ccccc7)c6)cc45)nc23)s1
InChIInChI=1S/C31H20FN7O2S/c1-16(40)24-7-8-25(42-24)29-28-23(9-10-34-29)36-30(37-28)27-21-12-18(13-22(32)26(21)38-39-27)19-11-20(15-33-14-19)35-31(41)17-5-3-2-4-6-17/h2-15H,1H3,(H,35,41)(H,36,37)(H,38,39)
InChIKeyBSJRHLAKWASZTC-UHFFFAOYSA-N
MW573.61 g/mol
LogP6.89
Rot. Bonds6

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

N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-1H-indazol-5-yl]-3-pyridinyl]benzamide (PubChem CID 136935885) has the molecular formula C31H20FN7O2S and a molecular weight of 573.61 g/mol. Its IUPAC name is N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-1H-indazol-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-1H-indazol-5-yl]-3-pyridinyl]benzamide
PubChem CID136935885
Molecular FormulaC31H20FN7O2S
Molecular Weight573.61 g/mol
Exact Mass573.14
IUPAC NameN-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-1H-indazol-5-yl]-3-pyridinyl]benzamide
SMILESCC(=O)c1ccc(-c2nccc3[nH]c(-c4n[nH]c5c(F)cc(-c6cncc(NC(=O)c7ccccc7)c6)cc45)nc23)s1
InChIInChI=1S/C31H20FN7O2S/c1-16(40)24-7-8-25(42-24)29-28-23(9-10-34-29)36-30(37-28)27-21-12-18(13-22(32)26(21)38-39-27)19-11-20(15-33-14-19)35-31(41)17-5-3-2-4-6-17/h2-15H,1H3,(H,35,41)(H,36,37)(H,38,39)
InChIKeyBSJRHLAKWASZTC-UHFFFAOYSA-N
XLogP6.89
TPSA129.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.61
LogP ≤ 56.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The IUPAC name of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-1H-indazol-5-yl]-3-pyridinyl]benzamide (CID 136935885) is N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-1H-indazol-5-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The canonical SMILES for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-1H-indazol-5-yl]-3-pyridinyl]benzamide is CC(=O)c1ccc(-c2nccc3[nH]c(-c4n[nH]c5c(F)cc(-c6cncc(NC(=O)c7ccccc7)c6)cc45)nc23)s1.
What is the InChIKey of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The InChIKey is BSJRHLAKWASZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20FN7O2S/c1-16(40)24-7-8-25(42-24)29-28-23(9-10-34-29)36-30(37-28)27-21-12-18(13-22(32)26(21)38-39-27)19-11-20(15-33-14-19)35-31(41)17-5-3-2-4-6-17/h2-15H,1H3,(H,35,41)(H,36,37)(H,38,39).
What are the key properties of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-1H-indazol-5-yl]-3-pyridinyl]benzamide?
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-1H-indazol-5-yl]-3-pyridinyl]benzamide has a molecular weight of 573.61 g/mol, XLogP of 6.89, 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-1H-indazol-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 136935885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).