1-[1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C22H24N4O — CID 158770410

IUPAC1-[1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Cc3ccc(-c4ccc(C)nc4)cc3)nn2C)C1
InChIInChI=1S/C22H24N4O/c1-15-4-7-19(13-23-15)18-8-5-17(6-9-18)12-21-20-14-26(16(2)27)11-10-22(20)25(3)24-21/h4-9,13H,10-12,14H2,1-3H3
InChIKeyIQQBNFDLMASUDV-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.29
Rot. Bonds3

About 1-[1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 158770410) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID158770410
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name1-[1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Cc3ccc(-c4ccc(C)nc4)cc3)nn2C)C1
InChIInChI=1S/C22H24N4O/c1-15-4-7-19(13-23-15)18-8-5-17(6-9-18)12-21-20-14-26(16(2)27)11-10-22(20)25(3)24-21/h4-9,13H,10-12,14H2,1-3H3
InChIKeyIQQBNFDLMASUDV-UHFFFAOYSA-N
XLogP3.29
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[[4-(4-fluorophenyl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 157106284
1-[1-methyl-3-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 176984567
1-[3-[4-(6-amino-3-pyridinyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373215
5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylpyridine-2-carboxamide
CID 121373210
1-[3-[4-(1,4-dimethylpyrazol-5-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373259
3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]benzonitrile;4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]phenyl]benzonitrile;1-[3-[[4-(1-ethylpyrazol-4-yl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[[4-(4-fluorophenyl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[4-(4-methylphenyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 158392184
(4-bromophenyl)-[1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 50832610
1-[1-methyl-3-[5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372664
1-[3-[4-(3-hydroxyphenyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 145091066
1-[1-methyl-3-[4-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121383057
[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 72911179
1-[1-methyl-3-[4-(1-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121365515

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 158770410) is 1-[1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Cc3ccc(-c4ccc(C)nc4)cc3)nn2C)C1.
What is the InChIKey of 1-[1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is IQQBNFDLMASUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15-4-7-19(13-23-15)18-8-5-17(6-9-18)12-21-20-14-26(16(2)27)11-10-22(20)25(3)24-21/h4-9,13H,10-12,14H2,1-3H3.
What are the key properties of 1-[1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 360.46 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 158770410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).