3-(2-methyl-4-pyridinyl)-N-[3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide

C29H29N5O2 — CID 57410073

IUPAC3-(2-methyl-4-pyridinyl)-N-[3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)NC4CCCC(CN5C(=O)Cc6ccccc65)C4)cc23)ccn1
InChIInChI=1S/C29H29N5O2/c1-18-13-21(11-12-30-18)28-24-15-22(9-10-25(24)32-33-28)29(36)31-23-7-4-5-19(14-23)17-34-26-8-3-2-6-20(26)16-27(34)35/h2-3,6,8-13,15,19,23H,4-5,7,14,16-17H2,1H3,(H,31,36)(H,32,33)
InChIKeyDVYYAUBOVQKOKT-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.81
Rot. Bonds5

About 3-(2-methyl-4-pyridinyl)-N-[3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide

3-(2-methyl-4-pyridinyl)-N-[3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide (PubChem CID 57410073) has the molecular formula C29H29N5O2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 3-(2-methyl-4-pyridinyl)-N-[3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methyl-4-pyridinyl)-N-[3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide
PubChem CID57410073
Molecular FormulaC29H29N5O2
Molecular Weight479.58 g/mol
Exact Mass479.23
IUPAC Name3-(2-methyl-4-pyridinyl)-N-[3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)NC4CCCC(CN5C(=O)Cc6ccccc65)C4)cc23)ccn1
InChIInChI=1S/C29H29N5O2/c1-18-13-21(11-12-30-18)28-24-15-22(9-10-25(24)32-33-28)29(36)31-23-7-4-5-19(14-23)17-34-26-8-3-2-6-20(26)16-27(34)35/h2-3,6,8-13,15,19,23H,4-5,7,14,16-17H2,1H3,(H,31,36)(H,32,33)
InChIKeyDVYYAUBOVQKOKT-UHFFFAOYSA-N
XLogP4.81
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-pyridinyl)-N-[3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-(2-methyl-4-pyridinyl)-N-[3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide (CID 57410073) is 3-(2-methyl-4-pyridinyl)-N-[3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(2-methyl-4-pyridinyl)-N-[3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(2-methyl-4-pyridinyl)-N-[3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide is Cc1cc(-c2n[nH]c3ccc(C(=O)NC4CCCC(CN5C(=O)Cc6ccccc65)C4)cc23)ccn1.
What is the InChIKey of 3-(2-methyl-4-pyridinyl)-N-[3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide?
The InChIKey is DVYYAUBOVQKOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2/c1-18-13-21(11-12-30-18)28-24-15-22(9-10-25(24)32-33-28)29(36)31-23-7-4-5-19(14-23)17-34-26-8-3-2-6-20(26)16-27(34)35/h2-3,6,8-13,15,19,23H,4-5,7,14,16-17H2,1H3,(H,31,36)(H,32,33).
What are the key properties of 3-(2-methyl-4-pyridinyl)-N-[3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide?
3-(2-methyl-4-pyridinyl)-N-[3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide has a molecular weight of 479.58 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-pyridinyl)-N-[3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 57410073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).