N-[[1-(3-amino-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide

C21H27N5O2 — CID 171359588

IUPACN-[[1-(3-amino-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESNc1cc(C(=O)N2CCC(CNC(=O)C[C@H]3CCc4ccccc43)CC2)[nH]n1
InChIInChI=1S/C21H27N5O2/c22-19-12-18(24-25-19)21(28)26-9-7-14(8-10-26)13-23-20(27)11-16-6-5-15-3-1-2-4-17(15)16/h1-4,12,14,16H,5-11,13H2,(H,23,27)(H3,22,24,25)/t16-/m1/s1
InChIKeyFRCLGSBDPDWMSH-MRXNPFEDSA-N
MW381.48 g/mol
LogP2.08
Rot. Bonds5

About N-[[1-(3-amino-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide

N-[[1-(3-amino-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 171359588) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[[1-(3-amino-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound NameN-[[1-(3-amino-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID171359588
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[[1-(3-amino-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESNc1cc(C(=O)N2CCC(CNC(=O)C[C@H]3CCc4ccccc43)CC2)[nH]n1
InChIInChI=1S/C21H27N5O2/c22-19-12-18(24-25-19)21(28)26-9-7-14(8-10-26)13-23-20(27)11-16-6-5-15-3-1-2-4-17(15)16/h1-4,12,14,16H,5-11,13H2,(H,23,27)(H3,22,24,25)/t16-/m1/s1
InChIKeyFRCLGSBDPDWMSH-MRXNPFEDSA-N
XLogP2.08
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[1-(3-amino-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-amino-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of N-[[1-(3-amino-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide (CID 171359588) is N-[[1-(3-amino-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for N-[[1-(3-amino-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for N-[[1-(3-amino-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide is Nc1cc(C(=O)N2CCC(CNC(=O)C[C@H]3CCc4ccccc43)CC2)[nH]n1.
What is the InChIKey of N-[[1-(3-amino-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is FRCLGSBDPDWMSH-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H27N5O2/c22-19-12-18(24-25-19)21(28)26-9-7-14(8-10-26)13-23-20(27)11-16-6-5-15-3-1-2-4-17(15)16/h1-4,12,14,16H,5-11,13H2,(H,23,27)(H3,22,24,25)/t16-/m1/s1.
What are the key properties of N-[[1-(3-amino-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide?
N-[[1-(3-amino-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-amino-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 171359588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).