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

C13H16N6O3 — CID 126454357

IUPAC(7R)-7-hydroxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCc1cnc(CNC(=O)c2cc3n(n2)C[C@H](O)CNC3=O)[nH]1
InChIInChI=1S/C13H16N6O3/c1-7-3-14-11(17-7)5-16-12(21)9-2-10-13(22)15-4-8(20)6-19(10)18-9/h2-3,8,20H,4-6H2,1H3,(H,14,17)(H,15,22)(H,16,21)/t8-/m1/s1
InChIKeyIPPLMJIEEDKRQE-MRVPVSSYSA-N
MW304.31 g/mol
LogP-1.05
Rot. Bonds3

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

(7R)-7-hydroxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 126454357) has the molecular formula C13H16N6O3 and a molecular weight of 304.31 g/mol. Its IUPAC name is (7R)-7-hydroxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound Name(7R)-7-hydroxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID126454357
Molecular FormulaC13H16N6O3
Molecular Weight304.31 g/mol
Exact Mass304.13
IUPAC Name(7R)-7-hydroxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCc1cnc(CNC(=O)c2cc3n(n2)C[C@H](O)CNC3=O)[nH]1
InChIInChI=1S/C13H16N6O3/c1-7-3-14-11(17-7)5-16-12(21)9-2-10-13(22)15-4-8(20)6-19(10)18-9/h2-3,8,20H,4-6H2,1H3,(H,14,17)(H,15,22)(H,16,21)/t8-/m1/s1
InChIKeyIPPLMJIEEDKRQE-MRVPVSSYSA-N
XLogP-1.05
TPSA124.93 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

7-hydroxy-4-oxo-N-[(2-propoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 135097153
N-[(3-chloro-4-fluorophenyl)methyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 135115943
7-hydroxy-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 135088020
7-hydroxy-4-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 119065316
(7S)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 124756534
(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
(7S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 126451586
(7S)-N-[3-(2,4-dimethylphenoxy)propyl]-7-hydroxy-N-methyl-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 124842287
(7S)-N-cyclohexyl-7-hydroxy-N-[(2-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 126454031
(7S)-N-[3-(3-chlorophenoxy)propyl]-7-hydroxy-N-methyl-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 126444870
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CID 135114669
N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-methylsulfanylbenzamide
CID 77093532

Frequently Asked Questions

What is the IUPAC name of (7R)-7-hydroxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of (7R)-7-hydroxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 126454357) is (7R)-7-hydroxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for (7R)-7-hydroxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for (7R)-7-hydroxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is Cc1cnc(CNC(=O)c2cc3n(n2)C[C@H](O)CNC3=O)[nH]1.
What is the InChIKey of (7R)-7-hydroxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is IPPLMJIEEDKRQE-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H16N6O3/c1-7-3-14-11(17-7)5-16-12(21)9-2-10-13(22)15-4-8(20)6-19(10)18-9/h2-3,8,20H,4-6H2,1H3,(H,14,17)(H,15,22)(H,16,21)/t8-/m1/s1.
What are the key properties of (7R)-7-hydroxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
(7R)-7-hydroxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 304.31 g/mol, XLogP of -1.05, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-hydroxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 126454357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).