1-[(1R)-1-pyridin-4-ylpropyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea

C16H17N7O — CID 95899569

IUPAC1-[(1R)-1-pyridin-4-ylpropyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
SMILESCC[C@@H](NC(=O)Nc1cnn(-c2ncccn2)c1)c1ccncc1
InChIInChI=1S/C16H17N7O/c1-2-14(12-4-8-17-9-5-12)22-16(24)21-13-10-20-23(11-13)15-18-6-3-7-19-15/h3-11,14H,2H2,1H3,(H2,21,22,24)/t14-/m1/s1
InChIKeyRHEGGXBDJNHOBD-CQSZACIVSA-N
MW323.36 g/mol
LogP2.33
Rot. Bonds5

About 1-[(1R)-1-pyridin-4-ylpropyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea

1-[(1R)-1-pyridin-4-ylpropyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea (PubChem CID 95899569) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is 1-[(1R)-1-pyridin-4-ylpropyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[(1R)-1-pyridin-4-ylpropyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
PubChem CID95899569
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name1-[(1R)-1-pyridin-4-ylpropyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
SMILESCC[C@@H](NC(=O)Nc1cnn(-c2ncccn2)c1)c1ccncc1
InChIInChI=1S/C16H17N7O/c1-2-14(12-4-8-17-9-5-12)22-16(24)21-13-10-20-23(11-13)15-18-6-3-7-19-15/h3-11,14H,2H2,1H3,(H2,21,22,24)/t14-/m1/s1
InChIKeyRHEGGXBDJNHOBD-CQSZACIVSA-N
XLogP2.33
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-methyl-3-pyridinyl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 166196323
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 95776857
1-[3-(difluoromethyl)phenyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
CID 97318670
1,1-diethyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 71984790
1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 99714951
1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea
CID 47200410
1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 95899561
N-[2-chloro-5-(1-pyridin-4-ylpropylcarbamoylamino)phenyl]acetamide
CID 167829363
1-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
CID 96517986
1-[1-(furan-2-yl)-2-methoxyethyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea
CID 86778196
1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea
CID 99775116
1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 75521636

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-pyridin-4-ylpropyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
The IUPAC name of 1-[(1R)-1-pyridin-4-ylpropyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea (CID 95899569) is 1-[(1R)-1-pyridin-4-ylpropyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[(1R)-1-pyridin-4-ylpropyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
The canonical SMILES for 1-[(1R)-1-pyridin-4-ylpropyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea is CC[C@@H](NC(=O)Nc1cnn(-c2ncccn2)c1)c1ccncc1.
What is the InChIKey of 1-[(1R)-1-pyridin-4-ylpropyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
The InChIKey is RHEGGXBDJNHOBD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17N7O/c1-2-14(12-4-8-17-9-5-12)22-16(24)21-13-10-20-23(11-13)15-18-6-3-7-19-15/h3-11,14H,2H2,1H3,(H2,21,22,24)/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-pyridin-4-ylpropyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
1-[(1R)-1-pyridin-4-ylpropyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea has a molecular weight of 323.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-pyridin-4-ylpropyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea is sourced from PubChem (CID 95899569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).