N,2,5-trimethyl-N-[(1S)-1-[1-[(1S)-3-oxo-1,2-dihydroindene-1-carbonyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide

C30H34N4O3 — CID 42366878

IUPACN,2,5-trimethyl-N-[(1S)-1-[1-[(1S)-3-oxo-1,2-dihydroindene-1-carbonyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)[C@@H](Cc2ccccc2)C2CCN(C(=O)[C@H]3CC(=O)c4ccccc43)CC2)n(C)n1
InChIInChI=1S/C30H34N4O3/c1-20-17-27(33(3)31-20)30(37)32(2)26(18-21-9-5-4-6-10-21)22-13-15-34(16-14-22)29(36)25-19-28(35)24-12-8-7-11-23(24)25/h4-12,17,22,25-26H,13-16,18-19H2,1-3H3/t25-,26-/m0/s1
InChIKeyDMVWLZFYIDVQJC-UIOOFZCWSA-N
MW498.63 g/mol
LogP4.02
Rot. Bonds6

About N,2,5-trimethyl-N-[(1S)-1-[1-[(1S)-3-oxo-1,2-dihydroindene-1-carbonyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide

N,2,5-trimethyl-N-[(1S)-1-[1-[(1S)-3-oxo-1,2-dihydroindene-1-carbonyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide (PubChem CID 42366878) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is N,2,5-trimethyl-N-[(1S)-1-[1-[(1S)-3-oxo-1,2-dihydroindene-1-carbonyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,2,5-trimethyl-N-[(1S)-1-[1-[(1S)-3-oxo-1,2-dihydroindene-1-carbonyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
PubChem CID42366878
Molecular FormulaC30H34N4O3
Molecular Weight498.63 g/mol
Exact Mass498.26
IUPAC NameN,2,5-trimethyl-N-[(1S)-1-[1-[(1S)-3-oxo-1,2-dihydroindene-1-carbonyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)[C@@H](Cc2ccccc2)C2CCN(C(=O)[C@H]3CC(=O)c4ccccc43)CC2)n(C)n1
InChIInChI=1S/C30H34N4O3/c1-20-17-27(33(3)31-20)30(37)32(2)26(18-21-9-5-4-6-10-21)22-13-15-34(16-14-22)29(36)25-19-28(35)24-12-8-7-11-23(24)25/h4-12,17,22,25-26H,13-16,18-19H2,1-3H3/t25-,26-/m0/s1
InChIKeyDMVWLZFYIDVQJC-UIOOFZCWSA-N
XLogP4.02
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,2,5-trimethyl-N-[(1S)-1-[1-[(1S)-3-oxo-1,2-dihydroindene-1-carbonyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide with MolForge

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Related Compounds

N-[1-[1-[(Z)-2-fluoro-3-phenylprop-2-enoyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 45228845
N,2,5-trimethyl-N-[1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
CID 45209709
N,2,5-trimethyl-N-[(1S)-1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
CID 26322188
N,2,5-trimethyl-N-[1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
CID 45220738
N-[(1R)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 26274500
N-[1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 45205013
N-[(1S)-2-(2,4-difluorophenyl)-1-[1-[(1S)-3-oxo-1,2-dihydroindene-1-carbonyl]piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide
CID 26360938
N-methyl-N-[1-[1-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 45210365
N-methyl-N-[(1R)-1-[1-[2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 26345512
N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide
CID 112513798
N,1-dimethyl-N-[(1S)-2-phenyl-1-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]ethyl]pyrazole-3-carboxamide
CID 42482388
N,1-dimethyl-N-[(1S)-1-[1-(2-methylsulfanylbenzoyl)piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
CID 26322216

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-N-[(1S)-1-[1-[(1S)-3-oxo-1,2-dihydroindene-1-carbonyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide?
The IUPAC name of N,2,5-trimethyl-N-[(1S)-1-[1-[(1S)-3-oxo-1,2-dihydroindene-1-carbonyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide (CID 42366878) is N,2,5-trimethyl-N-[(1S)-1-[1-[(1S)-3-oxo-1,2-dihydroindene-1-carbonyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide.
What is the SMILES notation for N,2,5-trimethyl-N-[(1S)-1-[1-[(1S)-3-oxo-1,2-dihydroindene-1-carbonyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide?
The canonical SMILES for N,2,5-trimethyl-N-[(1S)-1-[1-[(1S)-3-oxo-1,2-dihydroindene-1-carbonyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide is Cc1cc(C(=O)N(C)[C@@H](Cc2ccccc2)C2CCN(C(=O)[C@H]3CC(=O)c4ccccc43)CC2)n(C)n1.
What is the InChIKey of N,2,5-trimethyl-N-[(1S)-1-[1-[(1S)-3-oxo-1,2-dihydroindene-1-carbonyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide?
The InChIKey is DMVWLZFYIDVQJC-UIOOFZCWSA-N. The full InChI is InChI=1S/C30H34N4O3/c1-20-17-27(33(3)31-20)30(37)32(2)26(18-21-9-5-4-6-10-21)22-13-15-34(16-14-22)29(36)25-19-28(35)24-12-8-7-11-23(24)25/h4-12,17,22,25-26H,13-16,18-19H2,1-3H3/t25-,26-/m0/s1.
What are the key properties of N,2,5-trimethyl-N-[(1S)-1-[1-[(1S)-3-oxo-1,2-dihydroindene-1-carbonyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide?
N,2,5-trimethyl-N-[(1S)-1-[1-[(1S)-3-oxo-1,2-dihydroindene-1-carbonyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide has a molecular weight of 498.63 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-[(1S)-1-[1-[(1S)-3-oxo-1,2-dihydroindene-1-carbonyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 42366878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).