1-[(5-oxopyrrolidin-2-yl)methyl]-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)urea

C18H24N6O2 — CID 156608795

IUPAC1-[(5-oxopyrrolidin-2-yl)methyl]-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)urea
SMILESCC(C)n1cc(NC(=O)N(Cc2ccncc2)CC2CCC(=O)N2)cn1
InChIInChI=1S/C18H24N6O2/c1-13(2)24-12-16(9-20-24)22-18(26)23(10-14-5-7-19-8-6-14)11-15-3-4-17(25)21-15/h5-9,12-13,15H,3-4,10-11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyGEQBDRMUQRNZDN-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.17
Rot. Bonds6

About 1-[(5-oxopyrrolidin-2-yl)methyl]-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)urea

1-[(5-oxopyrrolidin-2-yl)methyl]-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)urea (PubChem CID 156608795) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[(5-oxopyrrolidin-2-yl)methyl]-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[(5-oxopyrrolidin-2-yl)methyl]-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)urea
PubChem CID156608795
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name1-[(5-oxopyrrolidin-2-yl)methyl]-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)urea
SMILESCC(C)n1cc(NC(=O)N(Cc2ccncc2)CC2CCC(=O)N2)cn1
InChIInChI=1S/C18H24N6O2/c1-13(2)24-12-16(9-20-24)22-18(26)23(10-14-5-7-19-8-6-14)11-15-3-4-17(25)21-15/h5-9,12-13,15H,3-4,10-11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyGEQBDRMUQRNZDN-UHFFFAOYSA-N
XLogP2.17
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(5-oxopyrrolidin-2-yl)methyl]-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)urea with MolForge

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Related Compounds

1-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 50979526
3-(6-methoxy-3-pyridinyl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-3-ylmethyl)urea
CID 118773691
3-(2-methylpropyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 70772054
2-(2-methyl-1,3-thiazol-4-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide
CID 91839800
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111859309
N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)benzamide
CID 50980890
1-cyclohexyl-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-2-ylmethyl)urea
CID 118782661
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-2-ylmethyl)urea
CID 72850195
2-[2-methoxyethyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid
CID 79269689
N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 74247243
1-(1-hydroxypropan-2-yl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 110010595
N-cyclooctyl-2-[[(2S)-5-oxopyrrolidin-2-yl]methyl-(pyridin-4-ylmethyl)amino]acetamide
CID 50965827

Frequently Asked Questions

What is the IUPAC name of 1-[(5-oxopyrrolidin-2-yl)methyl]-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[(5-oxopyrrolidin-2-yl)methyl]-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)urea (CID 156608795) is 1-[(5-oxopyrrolidin-2-yl)methyl]-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[(5-oxopyrrolidin-2-yl)methyl]-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[(5-oxopyrrolidin-2-yl)methyl]-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)urea is CC(C)n1cc(NC(=O)N(Cc2ccncc2)CC2CCC(=O)N2)cn1.
What is the InChIKey of 1-[(5-oxopyrrolidin-2-yl)methyl]-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)urea?
The InChIKey is GEQBDRMUQRNZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-13(2)24-12-16(9-20-24)22-18(26)23(10-14-5-7-19-8-6-14)11-15-3-4-17(25)21-15/h5-9,12-13,15H,3-4,10-11H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 1-[(5-oxopyrrolidin-2-yl)methyl]-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)urea?
1-[(5-oxopyrrolidin-2-yl)methyl]-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)urea has a molecular weight of 356.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-oxopyrrolidin-2-yl)methyl]-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 156608795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).