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

C28H28N6O2 — CID 57410907

IUPACN-[(1R,3S)-3-hydroxy-3-(indazol-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCC[C@@](O)(Cn5ncc6ccccc65)C4)cc23)ccn1
InChIInChI=1S/C28H28N6O2/c1-18-13-19(10-12-29-18)26-23-14-20(8-9-24(23)32-33-26)27(35)31-22-6-4-11-28(36,15-22)17-34-25-7-3-2-5-21(25)16-30-34/h2-3,5,7-10,12-14,16,22,36H,4,6,11,15,17H2,1H3,(H,31,35)(H,32,33)/t22-,28+/m1/s1
InChIKeyJRXWOHXTGDIIAS-DFHRPNOPSA-N
MW480.57 g/mol
LogP4.39
Rot. Bonds5

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

N-[(1R,3S)-3-hydroxy-3-(indazol-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (PubChem CID 57410907) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[(1R,3S)-3-hydroxy-3-(indazol-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-hydroxy-3-(indazol-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
PubChem CID57410907
Molecular FormulaC28H28N6O2
Molecular Weight480.57 g/mol
Exact Mass480.23
IUPAC NameN-[(1R,3S)-3-hydroxy-3-(indazol-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCC[C@@](O)(Cn5ncc6ccccc65)C4)cc23)ccn1
InChIInChI=1S/C28H28N6O2/c1-18-13-19(10-12-29-18)26-23-14-20(8-9-24(23)32-33-26)27(35)31-22-6-4-11-28(36,15-22)17-34-25-7-3-2-5-21(25)16-30-34/h2-3,5,7-10,12-14,16,22,36H,4,6,11,15,17H2,1H3,(H,31,35)(H,32,33)/t22-,28+/m1/s1
InChIKeyJRXWOHXTGDIIAS-DFHRPNOPSA-N
XLogP4.39
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-hydroxy-3-(indazol-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[(1R,3S)-3-hydroxy-3-(indazol-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (CID 57410907) is N-[(1R,3S)-3-hydroxy-3-(indazol-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(1R,3S)-3-hydroxy-3-(indazol-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(1R,3S)-3-hydroxy-3-(indazol-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCC[C@@](O)(Cn5ncc6ccccc65)C4)cc23)ccn1.
What is the InChIKey of N-[(1R,3S)-3-hydroxy-3-(indazol-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The InChIKey is JRXWOHXTGDIIAS-DFHRPNOPSA-N. The full InChI is InChI=1S/C28H28N6O2/c1-18-13-19(10-12-29-18)26-23-14-20(8-9-24(23)32-33-26)27(35)31-22-6-4-11-28(36,15-22)17-34-25-7-3-2-5-21(25)16-30-34/h2-3,5,7-10,12-14,16,22,36H,4,6,11,15,17H2,1H3,(H,31,35)(H,32,33)/t22-,28+/m1/s1.
What are the key properties of N-[(1R,3S)-3-hydroxy-3-(indazol-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
N-[(1R,3S)-3-hydroxy-3-(indazol-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 4.39, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-hydroxy-3-(indazol-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 57410907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).