(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone

C23H26N6O3 — CID 26782998

IUPAC(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone
SMILESCC(C)n1ncc2c(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cc(C3CC3)nc21
InChIInChI=1S/C23H26N6O3/c1-15(2)28-22-18(14-24-28)17(13-19(25-22)16-7-8-16)23(30)27-11-9-26(10-12-27)20-5-3-4-6-21(20)29(31)32/h3-6,13-16H,7-12H2,1-2H3
InChIKeyUOMSAIVJPQOTHB-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.76
Rot. Bonds5

About (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone

(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone (PubChem CID 26782998) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone
PubChem CID26782998
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone
SMILESCC(C)n1ncc2c(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cc(C3CC3)nc21
InChIInChI=1S/C23H26N6O3/c1-15(2)28-22-18(14-24-28)17(13-19(25-22)16-7-8-16)23(30)27-11-9-26(10-12-27)20-5-3-4-6-21(20)29(31)32/h3-6,13-16H,7-12H2,1-2H3
InChIKeyUOMSAIVJPQOTHB-UHFFFAOYSA-N
XLogP3.76
TPSA97.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 26718637
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39580979
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 17440231
[4-(2-nitrophenyl)piperazin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 33223757
6-cyclopropyl-2-methylsulfanyl-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]pyridine-3-carbonitrile
CID 38631470
[4-(3-nitrophenyl)piperazin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 55780554
(2S)-4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid
CID 126454534
2-[4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 25379341
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119490883
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 155946152
(4-amino-3,3-dimethylpiperidin-1-yl)-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 120815555
[4-(2-chlorophenyl)piperazin-1-yl]-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 46559622

Frequently Asked Questions

What is the IUPAC name of (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone?
The IUPAC name of (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone (CID 26782998) is (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone is CC(C)n1ncc2c(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cc(C3CC3)nc21.
What is the InChIKey of (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone?
The InChIKey is UOMSAIVJPQOTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-15(2)28-22-18(14-24-28)17(13-19(25-22)16-7-8-16)23(30)27-11-9-26(10-12-27)20-5-3-4-6-21(20)29(31)32/h3-6,13-16H,7-12H2,1-2H3.
What are the key properties of (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone?
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone has a molecular weight of 434.50 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 26782998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).