1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea

C18H26N6O — CID 94173510

IUPAC1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
SMILESCc1c([C@@H](C)NC(=O)NCc2ccc(N3CCCC3)nc2)cnn1C
InChIInChI=1S/C18H26N6O/c1-13(16-12-21-23(3)14(16)2)22-18(25)20-11-15-6-7-17(19-10-15)24-8-4-5-9-24/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3,(H2,20,22,25)/t13-/m1/s1
InChIKeyNVYSSXZYVZOKMD-CYBMUJFWSA-N
MW342.45 g/mol
LogP2.28
Rot. Bonds5

About 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea

1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea (PubChem CID 94173510) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
PubChem CID94173510
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
SMILESCc1c([C@@H](C)NC(=O)NCc2ccc(N3CCCC3)nc2)cnn1C
InChIInChI=1S/C18H26N6O/c1-13(16-12-21-23(3)14(16)2)22-18(25)20-11-15-6-7-17(19-10-15)24-8-4-5-9-24/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3,(H2,20,22,25)/t13-/m1/s1
InChIKeyNVYSSXZYVZOKMD-CYBMUJFWSA-N
XLogP2.28
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea with MolForge

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Related Compounds

1-[1-(2,4-difluorophenyl)ethyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
CID 55738522
1-(1-hydroxybutan-2-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 110892395
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111504542
1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 94029232
1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94196829
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 109389753
1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 94031495
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-benzhydrylurea
CID 60546666
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
CID 55741523
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 94172337

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea (CID 94173510) is 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea is Cc1c([C@@H](C)NC(=O)NCc2ccc(N3CCCC3)nc2)cnn1C.
What is the InChIKey of 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The InChIKey is NVYSSXZYVZOKMD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26N6O/c1-13(16-12-21-23(3)14(16)2)22-18(25)20-11-15-6-7-17(19-10-15)24-8-4-5-9-24/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3,(H2,20,22,25)/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea has a molecular weight of 342.45 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 94173510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).