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

C30H20N8O — CID 135987311

IUPACN-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1)c1ccccc1
InChIInChI=1S/C30H20N8O/c39-30(18-5-2-1-3-6-18)34-22-11-21(14-32-15-22)19-8-9-25-23(12-19)28(38-37-25)29-35-26-17-33-16-24(27(26)36-29)20-7-4-10-31-13-20/h1-17H,(H,34,39)(H,35,36)(H,37,38)
InChIKeyVKSGPMRKMOXMLQ-UHFFFAOYSA-N
MW508.55 g/mol
LogP5.88
Rot. Bonds5

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

N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide (PubChem CID 135987311) has the molecular formula C30H20N8O and a molecular weight of 508.55 g/mol. Its IUPAC name is N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
PubChem CID135987311
Molecular FormulaC30H20N8O
Molecular Weight508.55 g/mol
Exact Mass508.18
IUPAC NameN-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1)c1ccccc1
InChIInChI=1S/C30H20N8O/c39-30(18-5-2-1-3-6-18)34-22-11-21(14-32-15-22)19-8-9-25-23(12-19)28(38-37-25)29-35-26-17-33-16-24(27(26)36-29)20-7-4-10-31-13-20/h1-17H,(H,34,39)(H,35,36)(H,37,38)
InChIKeyVKSGPMRKMOXMLQ-UHFFFAOYSA-N
XLogP5.88
TPSA125.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.55
LogP ≤ 55.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The IUPAC name of N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide (CID 135987311) is N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The canonical SMILES for N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide is O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1)c1ccccc1.
What is the InChIKey of N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The InChIKey is VKSGPMRKMOXMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N8O/c39-30(18-5-2-1-3-6-18)34-22-11-21(14-32-15-22)19-8-9-25-23(12-19)28(38-37-25)29-35-26-17-33-16-24(27(26)36-29)20-7-4-10-31-13-20/h1-17H,(H,34,39)(H,35,36)(H,37,38).
What are the key properties of N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide?
N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide has a molecular weight of 508.55 g/mol, XLogP of 5.88, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 135987311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).