5-(2-aminopyrimidin-4-yl)-N-cyclopropyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C15H19N7O — CID 56759126

IUPAC5-(2-aminopyrimidin-4-yl)-N-cyclopropyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESNc1nccc(N2CCCn3nc(C(=O)NC4CC4)cc3C2)n1
InChIInChI=1S/C15H19N7O/c16-15-17-5-4-13(19-15)21-6-1-7-22-11(9-21)8-12(20-22)14(23)18-10-2-3-10/h4-5,8,10H,1-3,6-7,9H2,(H,18,23)(H2,16,17,19)
InChIKeyWEKBTYVIXCHWHL-UHFFFAOYSA-N
MW313.37 g/mol
LogP0.56
Rot. Bonds3

About 5-(2-aminopyrimidin-4-yl)-N-cyclopropyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

5-(2-aminopyrimidin-4-yl)-N-cyclopropyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 56759126) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-N-cyclopropyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-N-cyclopropyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID56759126
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name5-(2-aminopyrimidin-4-yl)-N-cyclopropyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESNc1nccc(N2CCCn3nc(C(=O)NC4CC4)cc3C2)n1
InChIInChI=1S/C15H19N7O/c16-15-17-5-4-13(19-15)21-6-1-7-22-11(9-21)8-12(20-22)14(23)18-10-2-3-10/h4-5,8,10H,1-3,6-7,9H2,(H,18,23)(H2,16,17,19)
InChIKeyWEKBTYVIXCHWHL-UHFFFAOYSA-N
XLogP0.56
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 53014510
4-(azetidin-1-yl)pyrimidin-2-amine
CID 118975953
N-cyclopropyl-5-(3-hydroxybenzoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 56745014
4-(2-aminopyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide
CID 83105794
N-cyclopropyl-5-[4-(tetrazol-1-yl)benzoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50968794
5-benzyl-N-pyrrolidin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 56712060
[5-(4-aminopyridine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-pyrrolidin-1-ylmethanone
CID 50951583
6-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 84573746
2-amino-N-pyrrolidin-3-ylpyrimidine-4-carboxamide
CID 142582873
6-(azepan-1-yl)-N-cycloheptylpyridine-2-carboxamide
CID 84573847
N-cyclopropyl-5-[(2S)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 95136435
5-[5-(ethylcarbamoyl)-2-pyridinyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
CID 50957600

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-N-cyclopropyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-N-cyclopropyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 56759126) is 5-(2-aminopyrimidin-4-yl)-N-cyclopropyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-N-cyclopropyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-N-cyclopropyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is Nc1nccc(N2CCCn3nc(C(=O)NC4CC4)cc3C2)n1.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-N-cyclopropyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is WEKBTYVIXCHWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c16-15-17-5-4-13(19-15)21-6-1-7-22-11(9-21)8-12(20-22)14(23)18-10-2-3-10/h4-5,8,10H,1-3,6-7,9H2,(H,18,23)(H2,16,17,19).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-N-cyclopropyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
5-(2-aminopyrimidin-4-yl)-N-cyclopropyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 313.37 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopyrimidin-4-yl)-N-cyclopropyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 56759126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).