1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide

C29H35N5O2 — CID 47089990

IUPAC1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(CC(=O)Nc2cc(-c3ccc4c(c3)CCC4)nn2-c2ccccc2)CC1
InChIInChI=1S/C29H35N5O2/c1-20(2)30-29(36)22-13-15-33(16-14-22)19-28(35)31-27-18-26(32-34(27)25-9-4-3-5-10-25)24-12-11-21-7-6-8-23(21)17-24/h3-5,9-12,17-18,20,22H,6-8,13-16,19H2,1-2H3,(H,30,36)(H,31,35)
InChIKeyVULYZFFMUMVUCD-UHFFFAOYSA-N
MW485.63 g/mol
LogP4.20
Rot. Bonds7

About 1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide

1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 47089990) has the molecular formula C29H35N5O2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID47089990
Molecular FormulaC29H35N5O2
Molecular Weight485.63 g/mol
Exact Mass485.28
IUPAC Name1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(CC(=O)Nc2cc(-c3ccc4c(c3)CCC4)nn2-c2ccccc2)CC1
InChIInChI=1S/C29H35N5O2/c1-20(2)30-29(36)22-13-15-33(16-14-22)19-28(35)31-27-18-26(32-34(27)25-9-4-3-5-10-25)24-12-11-21-7-6-8-23(21)17-24/h3-5,9-12,17-18,20,22H,6-8,13-16,19H2,1-2H3,(H,30,36)(H,31,35)
InChIKeyVULYZFFMUMVUCD-UHFFFAOYSA-N
XLogP4.20
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxamide
CID 41188599
1-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 24568699
N-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 26921680
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-5-yl]acetamide
CID 112805945
2-(4-hydroxypiperidin-1-yl)-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide
CID 18196319
2-[3-(hydroxymethyl)piperidin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
CID 112773177
2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
CID 154749529
3-(5-methyl-1H-indol-3-yl)-N-[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-5-yl]propanamide
CID 155968063
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 36672610
N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
CID 46087809
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclobutanecarboxamide
CID 42732235
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 111543790

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide (CID 47089990) is 1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(CC(=O)Nc2cc(-c3ccc4c(c3)CCC4)nn2-c2ccccc2)CC1.
What is the InChIKey of 1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is VULYZFFMUMVUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O2/c1-20(2)30-29(36)22-13-15-33(16-14-22)19-28(35)31-27-18-26(32-34(27)25-9-4-3-5-10-25)24-12-11-21-7-6-8-23(21)17-24/h3-5,9-12,17-18,20,22H,6-8,13-16,19H2,1-2H3,(H,30,36)(H,31,35).
What are the key properties of 1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 485.63 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 47089990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).