N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide

C22H28N6O2 — CID 110085703

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)N3CCCC(C)(C(=O)NCc4c(C)n[nH]c4C)C3)c2c1
InChIInChI=1S/C22H28N6O2/c1-13-6-7-18-16(10-13)19(27-26-18)20(29)28-9-5-8-22(4,12-28)21(30)23-11-17-14(2)24-25-15(17)3/h6-7,10H,5,8-9,11-12H2,1-4H3,(H,23,30)(H,24,25)(H,26,27)
InChIKeyLSZHYIJFSQHCSH-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.77
Rot. Bonds4

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide (PubChem CID 110085703) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide
PubChem CID110085703
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)N3CCCC(C)(C(=O)NCc4c(C)n[nH]c4C)C3)c2c1
InChIInChI=1S/C22H28N6O2/c1-13-6-7-18-16(10-13)19(27-26-18)20(29)28-9-5-8-22(4,12-28)21(30)23-11-17-14(2)24-25-15(17)3/h6-7,10H,5,8-9,11-12H2,1-4H3,(H,23,30)(H,24,25)(H,26,27)
InChIKeyLSZHYIJFSQHCSH-UHFFFAOYSA-N
XLogP2.77
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide
CID 110085702
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide
CID 110085681
N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide
CID 110085710
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[4-(4-fluorophenyl)butanoyl]-3-methylpiperidine-3-carboxamide
CID 171688151
(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 78869833
(3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087537
2-[4-(5-methyl-1H-indazole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 78868399
5-methyl-N-(2-piperidin-1-ylethyl)-1H-indazole-3-carboxamide
CID 78878733
(3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid
CID 124698920
N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 53117158
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(4-methylanilino)cyclopentane-1-carboxamide
CID 50948994
1-butanoyl-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117140

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide (CID 110085703) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide is Cc1ccc2[nH]nc(C(=O)N3CCCC(C)(C(=O)NCc4c(C)n[nH]c4C)C3)c2c1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is LSZHYIJFSQHCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-13-6-7-18-16(10-13)19(27-26-18)20(29)28-9-5-8-22(4,12-28)21(30)23-11-17-14(2)24-25-15(17)3/h6-7,10H,5,8-9,11-12H2,1-4H3,(H,23,30)(H,24,25)(H,26,27).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 110085703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).