N-[3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide

C27H18N6O2 — CID 135839317

IUPACN-[3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide
SMILESO=C(Nc1cccc(C(=O)c2ccc3c(-c4nc5ncccc5[nH]4)n[nH]c3c2)c1)c1ccccc1
InChIInChI=1S/C27H18N6O2/c34-24(17-8-4-9-19(14-17)29-27(35)16-6-2-1-3-7-16)18-11-12-20-22(15-18)32-33-23(20)26-30-21-10-5-13-28-25(21)31-26/h1-15H,(H,29,35)(H,32,33)(H,28,30,31)
InChIKeyTWHFSFMHMFBJRP-UHFFFAOYSA-N
MW458.48 g/mol
LogP4.98
Rot. Bonds5

About N-[3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide

N-[3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide (PubChem CID 135839317) has the molecular formula C27H18N6O2 and a molecular weight of 458.48 g/mol. Its IUPAC name is N-[3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide
PubChem CID135839317
Molecular FormulaC27H18N6O2
Molecular Weight458.48 g/mol
Exact Mass458.15
IUPAC NameN-[3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide
SMILESO=C(Nc1cccc(C(=O)c2ccc3c(-c4nc5ncccc5[nH]4)n[nH]c3c2)c1)c1ccccc1
InChIInChI=1S/C27H18N6O2/c34-24(17-8-4-9-19(14-17)29-27(35)16-6-2-1-3-7-16)18-11-12-20-22(15-18)32-33-23(20)26-30-21-10-5-13-28-25(21)31-26/h1-15H,(H,29,35)(H,32,33)(H,28,30,31)
InChIKeyTWHFSFMHMFBJRP-UHFFFAOYSA-N
XLogP4.98
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide?
The IUPAC name of N-[3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide (CID 135839317) is N-[3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide?
The canonical SMILES for N-[3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide is O=C(Nc1cccc(C(=O)c2ccc3c(-c4nc5ncccc5[nH]4)n[nH]c3c2)c1)c1ccccc1.
What is the InChIKey of N-[3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide?
The InChIKey is TWHFSFMHMFBJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N6O2/c34-24(17-8-4-9-19(14-17)29-27(35)16-6-2-1-3-7-16)18-11-12-20-22(15-18)32-33-23(20)26-30-21-10-5-13-28-25(21)31-26/h1-15H,(H,29,35)(H,32,33)(H,28,30,31).
What are the key properties of N-[3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide?
N-[3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide has a molecular weight of 458.48 g/mol, XLogP of 4.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide is sourced from PubChem (CID 135839317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).