1-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]-3-(4,6-dimethyl-2-pyridinyl)urea

C18H24N6O2 — CID 167965725

IUPAC1-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]-3-(4,6-dimethyl-2-pyridinyl)urea
SMILESCc1cc(C)nc(NC(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2cnn(C)c2C)c1
InChIInChI=1S/C18H24N6O2/c1-10-6-11(2)20-15(7-10)22-18(26)21-14-8-16(25)23(4)17(14)13-9-19-24(5)12(13)3/h6-7,9,14,17H,8H2,1-5H3,(H2,20,21,22,26)/t14-,17+/m0/s1
InChIKeyJAUSYPSWPVPRPS-WMLDXEAASA-N
MW356.43 g/mol
LogP1.83
Rot. Bonds3

About 1-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]-3-(4,6-dimethyl-2-pyridinyl)urea

1-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]-3-(4,6-dimethyl-2-pyridinyl)urea (PubChem CID 167965725) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]-3-(4,6-dimethyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]-3-(4,6-dimethyl-2-pyridinyl)urea
PubChem CID167965725
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name1-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]-3-(4,6-dimethyl-2-pyridinyl)urea
SMILESCc1cc(C)nc(NC(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2cnn(C)c2C)c1
InChIInChI=1S/C18H24N6O2/c1-10-6-11(2)20-15(7-10)22-18(26)21-14-8-16(25)23(4)17(14)13-9-19-24(5)12(13)3/h6-7,9,14,17H,8H2,1-5H3,(H2,20,21,22,26)/t14-,17+/m0/s1
InChIKeyJAUSYPSWPVPRPS-WMLDXEAASA-N
XLogP1.83
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]-3-(4,6-dimethyl-2-pyridinyl)urea?
The IUPAC name of 1-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]-3-(4,6-dimethyl-2-pyridinyl)urea (CID 167965725) is 1-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]-3-(4,6-dimethyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]-3-(4,6-dimethyl-2-pyridinyl)urea?
The canonical SMILES for 1-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]-3-(4,6-dimethyl-2-pyridinyl)urea is Cc1cc(C)nc(NC(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2cnn(C)c2C)c1.
What is the InChIKey of 1-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]-3-(4,6-dimethyl-2-pyridinyl)urea?
The InChIKey is JAUSYPSWPVPRPS-WMLDXEAASA-N. The full InChI is InChI=1S/C18H24N6O2/c1-10-6-11(2)20-15(7-10)22-18(26)21-14-8-16(25)23(4)17(14)13-9-19-24(5)12(13)3/h6-7,9,14,17H,8H2,1-5H3,(H2,20,21,22,26)/t14-,17+/m0/s1.
What are the key properties of 1-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]-3-(4,6-dimethyl-2-pyridinyl)urea?
1-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]-3-(4,6-dimethyl-2-pyridinyl)urea has a molecular weight of 356.43 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]-3-(4,6-dimethyl-2-pyridinyl)urea is sourced from PubChem (CID 167965725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).