3-(1,3-dimethylpyrazol-4-yl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]propanamide

C19H28N6O — CID 124972941

IUPAC3-(1,3-dimethylpyrazol-4-yl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]propanamide
SMILESCc1ncc(CNC(=O)CCc2cn(C)nc2C)c([C@@H]2CCCN2C)n1
InChIInChI=1S/C19H28N6O/c1-13-15(12-25(4)23-13)7-8-18(26)21-11-16-10-20-14(2)22-19(16)17-6-5-9-24(17)3/h10,12,17H,5-9,11H2,1-4H3,(H,21,26)/t17-/m0/s1
InChIKeyKGYFOSBJIVGTBE-KRWDZBQOSA-N
MW356.47 g/mol
LogP1.84
Rot. Bonds6

About 3-(1,3-dimethylpyrazol-4-yl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]propanamide

3-(1,3-dimethylpyrazol-4-yl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]propanamide (PubChem CID 124972941) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]propanamide
PubChem CID124972941
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]propanamide
SMILESCc1ncc(CNC(=O)CCc2cn(C)nc2C)c([C@@H]2CCCN2C)n1
InChIInChI=1S/C19H28N6O/c1-13-15(12-25(4)23-13)7-8-18(26)21-11-16-10-20-14(2)22-19(16)17-6-5-9-24(17)3/h10,12,17H,5-9,11H2,1-4H3,(H,21,26)/t17-/m0/s1
InChIKeyKGYFOSBJIVGTBE-KRWDZBQOSA-N
XLogP1.84
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]propanamide?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]propanamide (CID 124972941) is 3-(1,3-dimethylpyrazol-4-yl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]propanamide.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]propanamide?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]propanamide is Cc1ncc(CNC(=O)CCc2cn(C)nc2C)c([C@@H]2CCCN2C)n1.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]propanamide?
The InChIKey is KGYFOSBJIVGTBE-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N6O/c1-13-15(12-25(4)23-13)7-8-18(26)21-11-16-10-20-14(2)22-19(16)17-6-5-9-24(17)3/h10,12,17H,5-9,11H2,1-4H3,(H,21,26)/t17-/m0/s1.
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]propanamide?
3-(1,3-dimethylpyrazol-4-yl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]propanamide has a molecular weight of 356.47 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]propanamide is sourced from PubChem (CID 124972941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).