4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzamide

C29H29N5O — CID 163624712

IUPAC4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzamide
SMILESCn1ncc2cc(-c3ncc4c(ccn4CC4CCCCC4)c3-c3ccc(C(N)=O)cc3)ccc21
InChIInChI=1S/C29H29N5O/c1-33-25-12-11-22(15-23(25)16-32-33)28-27(20-7-9-21(10-8-20)29(30)35)24-13-14-34(26(24)17-31-28)18-19-5-3-2-4-6-19/h7-17,19H,2-6,18H2,1H3,(H2,30,35)
InChIKeyXJWMOJJOCLSPGK-UHFFFAOYSA-N
MW463.59 g/mol
LogP5.94
Rot. Bonds5

About 4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzamide

4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzamide (PubChem CID 163624712) has the molecular formula C29H29N5O and a molecular weight of 463.59 g/mol. Its IUPAC name is 4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzamide.

Molecular Properties

Compound Name4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzamide
PubChem CID163624712
Molecular FormulaC29H29N5O
Molecular Weight463.59 g/mol
Exact Mass463.24
IUPAC Name4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzamide
SMILESCn1ncc2cc(-c3ncc4c(ccn4CC4CCCCC4)c3-c3ccc(C(N)=O)cc3)ccc21
InChIInChI=1S/C29H29N5O/c1-33-25-12-11-22(15-23(25)16-32-33)28-27(20-7-9-21(10-8-20)29(30)35)24-13-14-34(26(24)17-31-28)18-19-5-3-2-4-6-19/h7-17,19H,2-6,18H2,1H3,(H2,30,35)
InChIKeyXJWMOJJOCLSPGK-UHFFFAOYSA-N
XLogP5.94
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.59
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzamide?
The IUPAC name of 4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzamide (CID 163624712) is 4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzamide.
What is the SMILES notation for 4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzamide?
The canonical SMILES for 4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzamide is Cn1ncc2cc(-c3ncc4c(ccn4CC4CCCCC4)c3-c3ccc(C(N)=O)cc3)ccc21.
What is the InChIKey of 4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzamide?
The InChIKey is XJWMOJJOCLSPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O/c1-33-25-12-11-22(15-23(25)16-32-33)28-27(20-7-9-21(10-8-20)29(30)35)24-13-14-34(26(24)17-31-28)18-19-5-3-2-4-6-19/h7-17,19H,2-6,18H2,1H3,(H2,30,35).
What are the key properties of 4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzamide?
4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzamide has a molecular weight of 463.59 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzamide is sourced from PubChem (CID 163624712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).