1-methyl-3-[1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

C19H22N8O — CID 126948852

IUPAC1-methyl-3-[1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
SMILESCc1nc(N2CCC(n3cc(N4CCN(C)C4=O)cn3)C2)c2cccnc2n1
InChIInChI=1S/C19H22N8O/c1-13-22-17-16(4-3-6-20-17)18(23-13)25-7-5-14(11-25)27-12-15(10-21-27)26-9-8-24(2)19(26)28/h3-4,6,10,12,14H,5,7-9,11H2,1-2H3
InChIKeyJUMCFTGIJFXBGI-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.85
Rot. Bonds3

About 1-methyl-3-[1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

1-methyl-3-[1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (PubChem CID 126948852) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is 1-methyl-3-[1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
PubChem CID126948852
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name1-methyl-3-[1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
SMILESCc1nc(N2CCC(n3cc(N4CCN(C)C4=O)cn3)C2)c2cccnc2n1
InChIInChI=1S/C19H22N8O/c1-13-22-17-16(4-3-6-20-17)18(23-13)25-7-5-14(11-25)27-12-15(10-21-27)26-9-8-24(2)19(26)28/h3-4,6,10,12,14H,5,7-9,11H2,1-2H3
InChIKeyJUMCFTGIJFXBGI-UHFFFAOYSA-N
XLogP1.85
TPSA83.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-3-[1-[1-(5-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948796
1-[1-[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948677
1-methyl-3-[1-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948789
1-cyclopropyl-3-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]pyrrolidin-1-yl]pyrazin-2-one
CID 126948834
1-methyl-3-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948672
1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900886
1-methyl-3-[1-[1-[(2-methylpyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946149
1-[1-[1-(6-cyclopropylpyridazin-3-yl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948670
1-methyl-3-[1-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948640
1-[1-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948655
1-[1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948793
1-methyl-3-[1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948649

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The IUPAC name of 1-methyl-3-[1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (CID 126948852) is 1-methyl-3-[1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-[1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-[1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is Cc1nc(N2CCC(n3cc(N4CCN(C)C4=O)cn3)C2)c2cccnc2n1.
What is the InChIKey of 1-methyl-3-[1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The InChIKey is JUMCFTGIJFXBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c1-13-22-17-16(4-3-6-20-17)18(23-13)25-7-5-14(11-25)27-12-15(10-21-27)26-9-8-24(2)19(26)28/h3-4,6,10,12,14H,5,7-9,11H2,1-2H3.
What are the key properties of 1-methyl-3-[1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
1-methyl-3-[1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one has a molecular weight of 378.44 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 126948852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).