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

C24H29N5O2 — CID 26718637

IUPAC(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)CC1
InChIInChI=1S/C24H29N5O2/c1-16(2)29-23-19(15-25-29)18(14-20(26-23)17-8-9-17)24(30)28-12-10-27(11-13-28)21-6-4-5-7-22(21)31-3/h4-7,14-17H,8-13H2,1-3H3
InChIKeyVOWTWWVJKXRWAC-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.86
Rot. Bonds5

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

(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 26718637) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID26718637
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)CC1
InChIInChI=1S/C24H29N5O2/c1-16(2)29-23-19(15-25-29)18(14-20(26-23)17-8-9-17)24(30)28-12-10-27(11-13-28)21-6-4-5-7-22(21)31-3/h4-7,14-17H,8-13H2,1-3H3
InChIKeyVOWTWWVJKXRWAC-UHFFFAOYSA-N
XLogP3.86
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone
CID 26782998
(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)-(2-methylmorpholin-4-yl)methanone
CID 17458792
(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-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17492877
6-cyclopropyl-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60510859
(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
6-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
CID 138679351
[4-(2-chlorophenyl)piperazin-1-yl]-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 46559622
(2-methoxy-2-oxo-1-phenylethyl) 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 42897722

Frequently Asked Questions

What is the IUPAC name of (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 26718637) is (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)CC1.
What is the InChIKey of (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is VOWTWWVJKXRWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-16(2)29-23-19(15-25-29)18(14-20(26-23)17-8-9-17)24(30)28-12-10-27(11-13-28)21-6-4-5-7-22(21)31-3/h4-7,14-17H,8-13H2,1-3H3.
What are the key properties of (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 419.53 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 26718637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).