5-[3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one

C24H30N4O2 — CID 136799775

IUPAC5-[3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(C)cc(C2CCCN2C(=O)CCc2c(C)c3c(C)nn(C)c3[nH]c2=O)c1
InChIInChI=1S/C24H30N4O2/c1-14-11-15(2)13-18(12-14)20-7-6-10-28(20)21(29)9-8-19-16(3)22-17(4)26-27(5)23(22)25-24(19)30/h11-13,20H,6-10H2,1-5H3,(H,25,30)
InChIKeyLBKMPDFRZSYZMA-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.79
Rot. Bonds4

About 5-[3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one

5-[3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136799775) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 5-[3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name5-[3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136799775
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name5-[3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(C)cc(C2CCCN2C(=O)CCc2c(C)c3c(C)nn(C)c3[nH]c2=O)c1
InChIInChI=1S/C24H30N4O2/c1-14-11-15(2)13-18(12-14)20-7-6-10-28(20)21(29)9-8-19-16(3)22-17(4)26-27(5)23(22)25-24(19)30/h11-13,20H,6-10H2,1-5H3,(H,25,30)
InChIKeyLBKMPDFRZSYZMA-UHFFFAOYSA-N
XLogP3.79
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 136789627
5-[3-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 137232152
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
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
6-methyl-5-[3-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione
CID 30839513
1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]propan-1-one
CID 176931580
5-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137316825
N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 136924450
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 136528797
1-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 94117715
2,4-dimethyl-5-[3-oxo-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]-1H-pyrimidin-6-one
CID 136804359

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 5-[3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 136799775) is 5-[3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 5-[3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 5-[3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1cc(C)cc(C2CCCN2C(=O)CCc2c(C)c3c(C)nn(C)c3[nH]c2=O)c1.
What is the InChIKey of 5-[3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is LBKMPDFRZSYZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-14-11-15(2)13-18(12-14)20-7-6-10-28(20)21(29)9-8-19-16(3)22-17(4)26-27(5)23(22)25-24(19)30/h11-13,20H,6-10H2,1-5H3,(H,25,30).
What are the key properties of 5-[3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
5-[3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 406.53 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136799775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).