N-[3-(indazol-2-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

C28H28N6O — CID 67984642

IUPACN-[3-(indazol-2-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)NC4CCCC(Cn5cc6ccccc6n5)C4)cc23)ccn1
InChIInChI=1S/C28H28N6O/c1-18-13-20(11-12-29-18)27-24-15-21(9-10-26(24)31-32-27)28(35)30-23-7-4-5-19(14-23)16-34-17-22-6-2-3-8-25(22)33-34/h2-3,6,8-13,15,17,19,23H,4-5,7,14,16H2,1H3,(H,30,35)(H,31,32)
InChIKeyJYVDGDWJWRHVBE-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.27
Rot. Bonds5

About N-[3-(indazol-2-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

N-[3-(indazol-2-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (PubChem CID 67984642) has the molecular formula C28H28N6O and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[3-(indazol-2-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(indazol-2-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
PubChem CID67984642
Molecular FormulaC28H28N6O
Molecular Weight464.57 g/mol
Exact Mass464.23
IUPAC NameN-[3-(indazol-2-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)NC4CCCC(Cn5cc6ccccc6n5)C4)cc23)ccn1
InChIInChI=1S/C28H28N6O/c1-18-13-20(11-12-29-18)27-24-15-21(9-10-26(24)31-32-27)28(35)30-23-7-4-5-19(14-23)16-34-17-22-6-2-3-8-25(22)33-34/h2-3,6,8-13,15,17,19,23H,4-5,7,14,16H2,1H3,(H,30,35)(H,31,32)
InChIKeyJYVDGDWJWRHVBE-UHFFFAOYSA-N
XLogP5.27
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(indazol-2-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[3-(indazol-2-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (CID 67984642) is N-[3-(indazol-2-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[3-(indazol-2-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[3-(indazol-2-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is Cc1cc(-c2n[nH]c3ccc(C(=O)NC4CCCC(Cn5cc6ccccc6n5)C4)cc23)ccn1.
What is the InChIKey of N-[3-(indazol-2-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The InChIKey is JYVDGDWJWRHVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O/c1-18-13-20(11-12-29-18)27-24-15-21(9-10-26(24)31-32-27)28(35)30-23-7-4-5-19(14-23)16-34-17-22-6-2-3-8-25(22)33-34/h2-3,6,8-13,15,17,19,23H,4-5,7,14,16H2,1H3,(H,30,35)(H,31,32).
What are the key properties of N-[3-(indazol-2-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
N-[3-(indazol-2-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(indazol-2-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 67984642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).