2-[3-chloro-4-[2-hydroxy-2-(1-methyl-5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine-6-carbonitrile

C23H26ClN7O3 — CID 178130423

IUPAC2-[3-chloro-4-[2-hydroxy-2-(1-methyl-5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine-6-carbonitrile
SMILESCc1c(-c2cc(OCC(O)C3CC(=O)N(C)C3)c3c(Cl)cnn3c2)nn2c1CCN(C#N)CC2
InChIInChI=1S/C23H26ClN7O3/c1-14-18-3-4-29(13-25)5-6-30(18)27-22(14)16-7-20(23-17(24)9-26-31(23)11-16)34-12-19(32)15-8-21(33)28(2)10-15/h7,9,11,15,19,32H,3-6,8,10,12H2,1-2H3
InChIKeyFBIXYFJIXIFYEU-UHFFFAOYSA-N
MW483.96 g/mol
LogP1.72
Rot. Bonds5

About 2-[3-chloro-4-[2-hydroxy-2-(1-methyl-5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine-6-carbonitrile

2-[3-chloro-4-[2-hydroxy-2-(1-methyl-5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine-6-carbonitrile (PubChem CID 178130423) has the molecular formula C23H26ClN7O3 and a molecular weight of 483.96 g/mol. Its IUPAC name is 2-[3-chloro-4-[2-hydroxy-2-(1-methyl-5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine-6-carbonitrile.

Molecular Properties

Compound Name2-[3-chloro-4-[2-hydroxy-2-(1-methyl-5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine-6-carbonitrile
PubChem CID178130423
Molecular FormulaC23H26ClN7O3
Molecular Weight483.96 g/mol
Exact Mass483.18
IUPAC Name2-[3-chloro-4-[2-hydroxy-2-(1-methyl-5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine-6-carbonitrile
SMILESCc1c(-c2cc(OCC(O)C3CC(=O)N(C)C3)c3c(Cl)cnn3c2)nn2c1CCN(C#N)CC2
InChIInChI=1S/C23H26ClN7O3/c1-14-18-3-4-29(13-25)5-6-30(18)27-22(14)16-7-20(23-17(24)9-26-31(23)11-16)34-12-19(32)15-8-21(33)28(2)10-15/h7,9,11,15,19,32H,3-6,8,10,12H2,1-2H3
InChIKeyFBIXYFJIXIFYEU-UHFFFAOYSA-N
XLogP1.72
TPSA111.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.96
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze 2-[3-chloro-4-[2-hydroxy-2-(1-methyl-5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-chloro-4-[1-(1-methylpyrazol-4-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine-6-carbonitrile
CID 178130553
2-[3-chloro-4-[1-(6-methylpyridazin-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine-6-carbonitrile
CID 178130586
2-[3-chloro-4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonitrile
CID 178130597
1-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethenylcyanamide
CID 178131291
2-[3-chloro-4-(1-pyrazin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-3,6-dimethyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine;prop-2-enal
CID 178130563
1-[2-[3-chloro-4-(1-pyrazin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-6-yl]prop-2-en-1-one
CID 178130311
tert-butyl 2-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 178130470
1-[2-[3-chloro-4-[[2-(5-fluoro-2-pyridinyl)oxetan-2-yl]methoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-6-yl]prop-2-en-1-one
CID 178130411
4-[4-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile
CID 164920552
[3-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-6-yl]cyclobutyl]cyanamide
CID 178131245
(3S,4R)-4-[4-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]-3-fluoropiperidine-1-carbonitrile
CID 164920882
4-[4-[3-chloro-4-[(1S)-1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-cyclopropyltriazol-1-yl]piperidine-1-carbonitrile
CID 177310818

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-[2-hydroxy-2-(1-methyl-5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine-6-carbonitrile?
The IUPAC name of 2-[3-chloro-4-[2-hydroxy-2-(1-methyl-5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine-6-carbonitrile (CID 178130423) is 2-[3-chloro-4-[2-hydroxy-2-(1-methyl-5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine-6-carbonitrile.
What is the SMILES notation for 2-[3-chloro-4-[2-hydroxy-2-(1-methyl-5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine-6-carbonitrile?
The canonical SMILES for 2-[3-chloro-4-[2-hydroxy-2-(1-methyl-5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine-6-carbonitrile is Cc1c(-c2cc(OCC(O)C3CC(=O)N(C)C3)c3c(Cl)cnn3c2)nn2c1CCN(C#N)CC2.
What is the InChIKey of 2-[3-chloro-4-[2-hydroxy-2-(1-methyl-5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine-6-carbonitrile?
The InChIKey is FBIXYFJIXIFYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN7O3/c1-14-18-3-4-29(13-25)5-6-30(18)27-22(14)16-7-20(23-17(24)9-26-31(23)11-16)34-12-19(32)15-8-21(33)28(2)10-15/h7,9,11,15,19,32H,3-6,8,10,12H2,1-2H3.
What are the key properties of 2-[3-chloro-4-[2-hydroxy-2-(1-methyl-5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine-6-carbonitrile?
2-[3-chloro-4-[2-hydroxy-2-(1-methyl-5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine-6-carbonitrile has a molecular weight of 483.96 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-[2-hydroxy-2-(1-methyl-5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine-6-carbonitrile is sourced from PubChem (CID 178130423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).