[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone

C23H25N5O3 — CID 60510310

IUPAC[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCN(C(=O)c4ccccc4O)CC3)c12
InChIInChI=1S/C23H25N5O3/c1-14-20-17(13-18(15-7-8-15)24-21(20)26(2)25-14)23(31)28-11-9-27(10-12-28)22(30)16-5-3-4-6-19(16)29/h3-6,13,15,29H,7-12H2,1-2H3
InChIKeyQCXFVKPTSRAHMD-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.46
Rot. Bonds3

About [4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone

[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone (PubChem CID 60510310) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is [4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
PubChem CID60510310
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCN(C(=O)c4ccccc4O)CC3)c12
InChIInChI=1S/C23H25N5O3/c1-14-20-17(13-18(15-7-8-15)24-21(20)26(2)25-14)23(31)28-11-9-27(10-12-28)22(30)16-5-3-4-6-19(16)29/h3-6,13,15,29H,7-12H2,1-2H3
InChIKeyQCXFVKPTSRAHMD-UHFFFAOYSA-N
XLogP2.46
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 34840370
(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone
CID 39891388
[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 35337435
(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 47913897
1-(azepan-1-yl)-2-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 35612520
(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 16609817
6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 31761752
[1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38492035
2-methylpropyl 4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)-1,4-diazepane-1-carboxylate
CID 60620608
4-[[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 31862742
methyl 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19616466
5-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 16623146

Frequently Asked Questions

What is the IUPAC name of [4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone (CID 60510310) is [4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone is Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCN(C(=O)c4ccccc4O)CC3)c12.
What is the InChIKey of [4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone?
The InChIKey is QCXFVKPTSRAHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-14-20-17(13-18(15-7-8-15)24-21(20)26(2)25-14)23(31)28-11-9-27(10-12-28)22(30)16-5-3-4-6-19(16)29/h3-6,13,15,29H,7-12H2,1-2H3.
What are the key properties of [4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone?
[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone has a molecular weight of 419.49 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 60510310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).