1-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-cyclopentylpyrazol-3-yl)urea

C20H25N7O — CID 118793902

IUPAC1-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-cyclopentylpyrazol-3-yl)urea
SMILESN#Cc1cccnc1N1CCC(NC(=O)Nc2ccnn2C2CCCC2)CC1
InChIInChI=1S/C20H25N7O/c21-14-15-4-3-10-22-19(15)26-12-8-16(9-13-26)24-20(28)25-18-7-11-23-27(18)17-5-1-2-6-17/h3-4,7,10-11,16-17H,1-2,5-6,8-9,12-13H2,(H2,24,25,28)
InChIKeyXZRROJDSBIFZJT-UHFFFAOYSA-N
MW379.47 g/mol
LogP3.06
Rot. Bonds4

About 1-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-cyclopentylpyrazol-3-yl)urea

1-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-cyclopentylpyrazol-3-yl)urea (PubChem CID 118793902) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 1-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-cyclopentylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-cyclopentylpyrazol-3-yl)urea
PubChem CID118793902
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name1-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-cyclopentylpyrazol-3-yl)urea
SMILESN#Cc1cccnc1N1CCC(NC(=O)Nc2ccnn2C2CCCC2)CC1
InChIInChI=1S/C20H25N7O/c21-14-15-4-3-10-22-19(15)26-12-8-16(9-13-26)24-20(28)25-18-7-11-23-27(18)17-5-1-2-6-17/h3-4,7,10-11,16-17H,1-2,5-6,8-9,12-13H2,(H2,24,25,28)
InChIKeyXZRROJDSBIFZJT-UHFFFAOYSA-N
XLogP3.06
TPSA98.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-cyclopentylpyrazol-3-yl)urea with MolForge

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Related Compounds

1-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea
CID 97271212
1-(3-cyano-2-pyridinyl)-3-cyclohexylurea
CID 110472699
(2S)-2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 129490147
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide
CID 134031843
1-[4-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-4-oxobutyl]-3-cyclohexylurea
CID 55513437
2-cyano-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 110470108
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993643
(3R)-N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide
CID 125444340
3-chloro-N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-4-pyrrolidin-1-ylbenzamide
CID 131934591
1-(2-cyclohexylpyrazol-3-yl)-3-(2-hydroxycyclohexyl)urea
CID 111116972
3-cyano-N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145778
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 91796252

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-cyclopentylpyrazol-3-yl)urea?
The IUPAC name of 1-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-cyclopentylpyrazol-3-yl)urea (CID 118793902) is 1-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-cyclopentylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-cyclopentylpyrazol-3-yl)urea?
The canonical SMILES for 1-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-cyclopentylpyrazol-3-yl)urea is N#Cc1cccnc1N1CCC(NC(=O)Nc2ccnn2C2CCCC2)CC1.
What is the InChIKey of 1-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-cyclopentylpyrazol-3-yl)urea?
The InChIKey is XZRROJDSBIFZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c21-14-15-4-3-10-22-19(15)26-12-8-16(9-13-26)24-20(28)25-18-7-11-23-27(18)17-5-1-2-6-17/h3-4,7,10-11,16-17H,1-2,5-6,8-9,12-13H2,(H2,24,25,28).
What are the key properties of 1-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-cyclopentylpyrazol-3-yl)urea?
1-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-cyclopentylpyrazol-3-yl)urea has a molecular weight of 379.47 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-cyclopentylpyrazol-3-yl)urea is sourced from PubChem (CID 118793902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).