[1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone

C22H19ClN4O3 — CID 2382315

IUPAC[1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
SMILESCc1nn(-c2cccc(Cl)c2)c2nc(-c3ccco3)cc(C(=O)N3CCOCC3)c12
InChIInChI=1S/C22H19ClN4O3/c1-14-20-17(22(28)26-7-10-29-11-8-26)13-18(19-6-3-9-30-19)24-21(20)27(25-14)16-5-2-4-15(23)12-16/h2-6,9,12-13H,7-8,10-11H2,1H3
InChIKeyGDYJEKVMLPVCOD-UHFFFAOYSA-N
MW422.87 g/mol
LogP4.11
Rot. Bonds3

About [1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone

[1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone (PubChem CID 2382315) has the molecular formula C22H19ClN4O3 and a molecular weight of 422.87 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
PubChem CID2382315
Molecular FormulaC22H19ClN4O3
Molecular Weight422.87 g/mol
Exact Mass422.11
IUPAC Name[1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
SMILESCc1nn(-c2cccc(Cl)c2)c2nc(-c3ccco3)cc(C(=O)N3CCOCC3)c12
InChIInChI=1S/C22H19ClN4O3/c1-14-20-17(22(28)26-7-10-29-11-8-26)13-18(19-6-3-9-30-19)24-21(20)27(25-14)16-5-2-4-15(23)12-16/h2-6,9,12-13H,7-8,10-11H2,1H3
InChIKeyGDYJEKVMLPVCOD-UHFFFAOYSA-N
XLogP4.11
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

azepan-1-yl-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 35184700
1-[4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 46564669
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 16609396
[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 33290148
[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 55972717
tert-butyl 4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazine-1-carboxylate
CID 46533052
[1-(3-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 1053517
2-[4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-3-methylbutanenitrile
CID 56583117
[1-[(3S)-1,1-dioxothiolan-3-yl]-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 27461815
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 6615987
(3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone
CID 2999639
[1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
CID 44821512

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone (CID 2382315) is [1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone is Cc1nn(-c2cccc(Cl)c2)c2nc(-c3ccco3)cc(C(=O)N3CCOCC3)c12.
What is the InChIKey of [1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is GDYJEKVMLPVCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3/c1-14-20-17(22(28)26-7-10-29-11-8-26)13-18(19-6-3-9-30-19)24-21(20)27(25-14)16-5-2-4-15(23)12-16/h2-6,9,12-13H,7-8,10-11H2,1H3.
What are the key properties of [1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone?
[1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 422.87 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 2382315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).