(7R)-7-hydroxy-4-oxo-N-[2-(1-propylpiperidin-4-yl)ethyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C18H29N5O3 — CID 126427816

IUPAC(7R)-7-hydroxy-4-oxo-N-[2-(1-propylpiperidin-4-yl)ethyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCCCN1CCC(CCNC(=O)c2cc3n(n2)C[C@H](O)CNC3=O)CC1
InChIInChI=1S/C18H29N5O3/c1-2-7-22-8-4-13(5-9-22)3-6-19-17(25)15-10-16-18(26)20-11-14(24)12-23(16)21-15/h10,13-14,24H,2-9,11-12H2,1H3,(H,19,25)(H,20,26)/t14-/m1/s1
InChIKeyHYECJBVFHYNBRW-CQSZACIVSA-N
MW363.46 g/mol
LogP0.23
Rot. Bonds6

About (7R)-7-hydroxy-4-oxo-N-[2-(1-propylpiperidin-4-yl)ethyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

(7R)-7-hydroxy-4-oxo-N-[2-(1-propylpiperidin-4-yl)ethyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 126427816) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is (7R)-7-hydroxy-4-oxo-N-[2-(1-propylpiperidin-4-yl)ethyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound Name(7R)-7-hydroxy-4-oxo-N-[2-(1-propylpiperidin-4-yl)ethyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID126427816
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name(7R)-7-hydroxy-4-oxo-N-[2-(1-propylpiperidin-4-yl)ethyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCCCN1CCC(CCNC(=O)c2cc3n(n2)C[C@H](O)CNC3=O)CC1
InChIInChI=1S/C18H29N5O3/c1-2-7-22-8-4-13(5-9-22)3-6-19-17(25)15-10-16-18(26)20-11-14(24)12-23(16)21-15/h10,13-14,24H,2-9,11-12H2,1H3,(H,19,25)(H,20,26)/t14-/m1/s1
InChIKeyHYECJBVFHYNBRW-CQSZACIVSA-N
XLogP0.23
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-hydroxy-4-oxo-N-[2-(1-propylpiperidin-4-yl)ethyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of (7R)-7-hydroxy-4-oxo-N-[2-(1-propylpiperidin-4-yl)ethyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 126427816) is (7R)-7-hydroxy-4-oxo-N-[2-(1-propylpiperidin-4-yl)ethyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for (7R)-7-hydroxy-4-oxo-N-[2-(1-propylpiperidin-4-yl)ethyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for (7R)-7-hydroxy-4-oxo-N-[2-(1-propylpiperidin-4-yl)ethyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is CCCN1CCC(CCNC(=O)c2cc3n(n2)C[C@H](O)CNC3=O)CC1.
What is the InChIKey of (7R)-7-hydroxy-4-oxo-N-[2-(1-propylpiperidin-4-yl)ethyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is HYECJBVFHYNBRW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-2-7-22-8-4-13(5-9-22)3-6-19-17(25)15-10-16-18(26)20-11-14(24)12-23(16)21-15/h10,13-14,24H,2-9,11-12H2,1H3,(H,19,25)(H,20,26)/t14-/m1/s1.
What are the key properties of (7R)-7-hydroxy-4-oxo-N-[2-(1-propylpiperidin-4-yl)ethyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
(7R)-7-hydroxy-4-oxo-N-[2-(1-propylpiperidin-4-yl)ethyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-hydroxy-4-oxo-N-[2-(1-propylpiperidin-4-yl)ethyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 126427816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).