(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(3-methylpiperidin-1-yl)methanone

C21H24N4O — CID 42931045

IUPAC(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCCn1ncc2c(C(=O)N3CCCC(C)C3)cc(-c3ccccc3)nc21
InChIInChI=1S/C21H24N4O/c1-3-25-20-18(13-22-25)17(21(26)24-11-7-8-15(2)14-24)12-19(23-20)16-9-5-4-6-10-16/h4-6,9-10,12-13,15H,3,7-8,11,14H2,1-2H3
InChIKeyHMTGRVOHRCFHBD-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.99
Rot. Bonds3

About (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(3-methylpiperidin-1-yl)methanone

(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 42931045) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(3-methylpiperidin-1-yl)methanone
PubChem CID42931045
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCCn1ncc2c(C(=O)N3CCCC(C)C3)cc(-c3ccccc3)nc21
InChIInChI=1S/C21H24N4O/c1-3-25-20-18(13-22-25)17(21(26)24-11-7-8-15(2)14-24)12-19(23-20)16-9-5-4-6-10-16/h4-6,9-10,12-13,15H,3,7-8,11,14H2,1-2H3
InChIKeyHMTGRVOHRCFHBD-UHFFFAOYSA-N
XLogP3.99
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 46697455
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560360
(4-aminopiperidin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 119373427
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78835833
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 51854334
[4-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39571179
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119649125
(6R)-4-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-6-methylmorpholine-2-carboxylic acid
CID 120536024
[4-(2,6-dimethylphenoxy)piperidin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 55803970
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 112807539
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 32539440
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
CID 112807516

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(3-methylpiperidin-1-yl)methanone (CID 42931045) is (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(3-methylpiperidin-1-yl)methanone is CCn1ncc2c(C(=O)N3CCCC(C)C3)cc(-c3ccccc3)nc21.
What is the InChIKey of (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is HMTGRVOHRCFHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-3-25-20-18(13-22-25)17(21(26)24-11-7-8-15(2)14-24)12-19(23-20)16-9-5-4-6-10-16/h4-6,9-10,12-13,15H,3,7-8,11,14H2,1-2H3.
What are the key properties of (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(3-methylpiperidin-1-yl)methanone?
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 348.45 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 42931045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).