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

C31H21N7O — CID 137116918

IUPACN-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1)c1ccccc1
InChIInChI=1S/C31H21N7O/c39-31(19-5-2-1-3-6-19)35-23-11-22(15-33-16-23)20-8-9-27-25(12-20)30(38-37-27)28-13-24-26(17-34-18-29(24)36-28)21-7-4-10-32-14-21/h1-18,36H,(H,35,39)(H,37,38)
InChIKeyVWVPSJKNOBRXJG-UHFFFAOYSA-N
MW507.56 g/mol
LogP6.48
Rot. Bonds5

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

N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide (PubChem CID 137116918) has the molecular formula C31H21N7O and a molecular weight of 507.56 g/mol. Its IUPAC name is N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
PubChem CID137116918
Molecular FormulaC31H21N7O
Molecular Weight507.56 g/mol
Exact Mass507.18
IUPAC NameN-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1)c1ccccc1
InChIInChI=1S/C31H21N7O/c39-31(19-5-2-1-3-6-19)35-23-11-22(15-33-16-23)20-8-9-27-25(12-20)30(38-37-27)28-13-24-26(17-34-18-29(24)36-28)21-7-4-10-32-14-21/h1-18,36H,(H,35,39)(H,37,38)
InChIKeyVWVPSJKNOBRXJG-UHFFFAOYSA-N
XLogP6.48
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.56
LogP ≤ 56.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The IUPAC name of N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide (CID 137116918) is N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The canonical SMILES for N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide is O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1)c1ccccc1.
What is the InChIKey of N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The InChIKey is VWVPSJKNOBRXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N7O/c39-31(19-5-2-1-3-6-19)35-23-11-22(15-33-16-23)20-8-9-27-25(12-20)30(38-37-27)28-13-24-26(17-34-18-29(24)36-28)21-7-4-10-32-14-21/h1-18,36H,(H,35,39)(H,37,38).
What are the key properties of N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide?
N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide has a molecular weight of 507.56 g/mol, XLogP of 6.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 137116918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).