(4-fluorophenyl)-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone

C26H26FN5O2S — CID 46579658

IUPAC(4-fluorophenyl)-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)c3cnn(C(C)C)c3n2)s1
InChIInChI=1S/C26H26FN5O2S/c1-16(2)32-24-21(15-28-32)20(14-22(29-24)23-9-4-17(3)35-23)26(34)31-12-10-30(11-13-31)25(33)18-5-7-19(27)8-6-18/h4-9,14-16H,10-13H2,1-3H3
InChIKeyGSLRLPKECGGGJV-UHFFFAOYSA-N
MW491.59 g/mol
LogP4.79
Rot. Bonds4

About (4-fluorophenyl)-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone

(4-fluorophenyl)-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone (PubChem CID 46579658) has the molecular formula C26H26FN5O2S and a molecular weight of 491.59 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone
PubChem CID46579658
Molecular FormulaC26H26FN5O2S
Molecular Weight491.59 g/mol
Exact Mass491.18
IUPAC Name(4-fluorophenyl)-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)c3cnn(C(C)C)c3n2)s1
InChIInChI=1S/C26H26FN5O2S/c1-16(2)32-24-21(15-28-32)20(14-22(29-24)23-9-4-17(3)35-23)26(34)31-12-10-30(11-13-31)25(33)18-5-7-19(27)8-6-18/h4-9,14-16H,10-13H2,1-3H3
InChIKeyGSLRLPKECGGGJV-UHFFFAOYSA-N
XLogP4.79
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-phenylmethanone
CID 46689804
1-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 34840164
[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 46507989
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 120656628
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone;dihydrochloride
CID 120656627
6-(5-methylthiophen-2-yl)-N,1-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46689458
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 46689823
[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 24606529
6-(2,5-dimethylthiophen-3-yl)-N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 55507314
1-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 55494119
6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119453480
[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 26026281

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone (CID 46579658) is (4-fluorophenyl)-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)c3cnn(C(C)C)c3n2)s1.
What is the InChIKey of (4-fluorophenyl)-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone?
The InChIKey is GSLRLPKECGGGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2S/c1-16(2)32-24-21(15-28-32)20(14-22(29-24)23-9-4-17(3)35-23)26(34)31-12-10-30(11-13-31)25(33)18-5-7-19(27)8-6-18/h4-9,14-16H,10-13H2,1-3H3.
What are the key properties of (4-fluorophenyl)-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone?
(4-fluorophenyl)-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone has a molecular weight of 491.59 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 46579658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).