N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide

C25H38N8O2 — CID 22109661

IUPACN-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide
SMILESO=C(CN1CCCN(CC(=O)Nc2ccnn2C2CCCC2)CC1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C25H38N8O2/c34-24(28-22-10-12-26-32(22)20-6-1-2-7-20)18-30-14-5-15-31(17-16-30)19-25(35)29-23-11-13-27-33(23)21-8-3-4-9-21/h10-13,20-21H,1-9,14-19H2,(H,28,34)(H,29,35)
InChIKeyPGMPVLSVDMPNSC-UHFFFAOYSA-N
MW482.63 g/mol
LogP2.89
Rot. Bonds8

About N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide

N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide (PubChem CID 22109661) has the molecular formula C25H38N8O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide
PubChem CID22109661
Molecular FormulaC25H38N8O2
Molecular Weight482.63 g/mol
Exact Mass482.31
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide
SMILESO=C(CN1CCCN(CC(=O)Nc2ccnn2C2CCCC2)CC1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C25H38N8O2/c34-24(28-22-10-12-26-32(22)20-6-1-2-7-20)18-30-14-5-15-31(17-16-30)19-25(35)29-23-11-13-27-33(23)21-8-3-4-9-21/h10-13,20-21H,1-9,14-19H2,(H,28,34)(H,29,35)
InChIKeyPGMPVLSVDMPNSC-UHFFFAOYSA-N
XLogP2.89
TPSA100.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-acetyl-1,4-diazepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 45800016
2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide
CID 53572990
2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 53573041
N-(2-cyclopentylpyrazol-3-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53585723
N-(2-propylpyrazol-3-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53600774
2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide
CID 53627192
2-[4-(3-methoxypropyl)-1,4-diazepan-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 71925322
N-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylacetamide
CID 33177226
2-(5-tert-butyl-2H-tetrazol-2-yl)-N-(1-cyclohexyl-1H-pyrazol-5-yl)acetamide
CID 46989429
N-(2-cyclopentylpyrazol-3-yl)-2-(3-pyrazol-1-ylbutan-2-ylamino)acetamide
CID 53617210
N-(2-cyclopentylpyrazol-3-yl)-2-(3,5-diethyl-1,2,4-triazol-1-yl)acetamide
CID 71973384
2-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 91838846

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide (CID 22109661) is N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide is O=C(CN1CCCN(CC(=O)Nc2ccnn2C2CCCC2)CC1)Nc1ccnn1C1CCCC1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide?
The InChIKey is PGMPVLSVDMPNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N8O2/c34-24(28-22-10-12-26-32(22)20-6-1-2-7-20)18-30-14-5-15-31(17-16-30)19-25(35)29-23-11-13-27-33(23)21-8-3-4-9-21/h10-13,20-21H,1-9,14-19H2,(H,28,34)(H,29,35).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide?
N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide has a molecular weight of 482.63 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 22109661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).