2-[[(4-cyclopentylpyrimidin-2-yl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide

C20H29N7O — CID 70764268

IUPAC2-[[(4-cyclopentylpyrimidin-2-yl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
SMILESCN(C)C(=O)N1CCCn2nc(CNc3nccc(C4CCCC4)n3)cc2C1
InChIInChI=1S/C20H29N7O/c1-25(2)20(28)26-10-5-11-27-17(14-26)12-16(24-27)13-22-19-21-9-8-18(23-19)15-6-3-4-7-15/h8-9,12,15H,3-7,10-11,13-14H2,1-2H3,(H,21,22,23)
InChIKeyZQENNCPVYCUIBI-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.83
Rot. Bonds4

About 2-[[(4-cyclopentylpyrimidin-2-yl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide

2-[[(4-cyclopentylpyrimidin-2-yl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide (PubChem CID 70764268) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-[[(4-cyclopentylpyrimidin-2-yl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide.

Molecular Properties

Compound Name2-[[(4-cyclopentylpyrimidin-2-yl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
PubChem CID70764268
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name2-[[(4-cyclopentylpyrimidin-2-yl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
SMILESCN(C)C(=O)N1CCCn2nc(CNc3nccc(C4CCCC4)n3)cc2C1
InChIInChI=1S/C20H29N7O/c1-25(2)20(28)26-10-5-11-27-17(14-26)12-16(24-27)13-22-19-21-9-8-18(23-19)15-6-3-4-7-15/h8-9,12,15H,3-7,10-11,13-14H2,1-2H3,(H,21,22,23)
InChIKeyZQENNCPVYCUIBI-UHFFFAOYSA-N
XLogP2.83
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-cyclopentylpyrimidin-2-yl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
The IUPAC name of 2-[[(4-cyclopentylpyrimidin-2-yl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide (CID 70764268) is 2-[[(4-cyclopentylpyrimidin-2-yl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide.
What is the SMILES notation for 2-[[(4-cyclopentylpyrimidin-2-yl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
The canonical SMILES for 2-[[(4-cyclopentylpyrimidin-2-yl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide is CN(C)C(=O)N1CCCn2nc(CNc3nccc(C4CCCC4)n3)cc2C1.
What is the InChIKey of 2-[[(4-cyclopentylpyrimidin-2-yl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
The InChIKey is ZQENNCPVYCUIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-25(2)20(28)26-10-5-11-27-17(14-26)12-16(24-27)13-22-19-21-9-8-18(23-19)15-6-3-4-7-15/h8-9,12,15H,3-7,10-11,13-14H2,1-2H3,(H,21,22,23).
What are the key properties of 2-[[(4-cyclopentylpyrimidin-2-yl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
2-[[(4-cyclopentylpyrimidin-2-yl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-cyclopentylpyrimidin-2-yl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide is sourced from PubChem (CID 70764268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).