3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one

C24H30N4O2 — CID 55904394

IUPAC3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)N3CCCC3c3cccc(C)c3)c(C)c12
InChIInChI=1S/C24H30N4O2/c1-15-8-6-9-18(14-15)20-10-7-13-28(20)21(29)12-11-19-16(2)22-23(25-17(19)3)27(4)26-24(22)30-5/h6,8-9,14,20H,7,10-13H2,1-5H3
InChIKeyBNHUCZPXNYYZKQ-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.20
Rot. Bonds5

About 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one

3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 55904394) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
PubChem CID55904394
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)N3CCCC3c3cccc(C)c3)c(C)c12
InChIInChI=1S/C24H30N4O2/c1-15-8-6-9-18(14-15)20-10-7-13-28(20)21(29)12-11-19-16(2)22-23(25-17(19)3)27(4)26-24(22)30-5/h6,8-9,14,20H,7,10-13H2,1-5H3
InChIKeyBNHUCZPXNYYZKQ-UHFFFAOYSA-N
XLogP4.20
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
CID 24645958
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one
CID 55956338
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 112820934
1-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122113261
5-[3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 99698544
1-[(2S)-2-phenylpyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 30664822
1-(2-phenylpyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 42940608
N-cyclohexyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 38016467
3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 83629742
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(naphthalen-1-ylmethyl)propanamide
CID 78862004
1-[4-(3-methylphenyl)piperazin-1-yl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
CID 24615818
2-chloro-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 166174148

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one (CID 55904394) is 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one is COc1nn(C)c2nc(C)c(CCC(=O)N3CCCC3c3cccc(C)c3)c(C)c12.
What is the InChIKey of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is BNHUCZPXNYYZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-15-8-6-9-18(14-15)20-10-7-13-28(20)21(29)12-11-19-16(2)22-23(25-17(19)3)27(4)26-24(22)30-5/h6,8-9,14,20H,7,10-13H2,1-5H3.
What are the key properties of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one?
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 406.53 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 55904394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).