1-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-3-(2-morpholin-4-yl-3-pyridinyl)urea

C18H26N6O2 — CID 119049270

IUPAC1-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-3-(2-morpholin-4-yl-3-pyridinyl)urea
SMILESCC(C)CCc1cc(NC(=O)Nc2cccnc2N2CCOCC2)n[nH]1
InChIInChI=1S/C18H26N6O2/c1-13(2)5-6-14-12-16(23-22-14)21-18(25)20-15-4-3-7-19-17(15)24-8-10-26-11-9-24/h3-4,7,12-13H,5-6,8-11H2,1-2H3,(H3,20,21,22,23,25)
InChIKeyZVFHZIPVERJONG-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.87
Rot. Bonds6

About 1-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-3-(2-morpholin-4-yl-3-pyridinyl)urea

1-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-3-(2-morpholin-4-yl-3-pyridinyl)urea (PubChem CID 119049270) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-3-(2-morpholin-4-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-3-(2-morpholin-4-yl-3-pyridinyl)urea
PubChem CID119049270
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name1-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-3-(2-morpholin-4-yl-3-pyridinyl)urea
SMILESCC(C)CCc1cc(NC(=O)Nc2cccnc2N2CCOCC2)n[nH]1
InChIInChI=1S/C18H26N6O2/c1-13(2)5-6-14-12-16(23-22-14)21-18(25)20-15-4-3-7-19-17(15)24-8-10-26-11-9-24/h3-4,7,12-13H,5-6,8-11H2,1-2H3,(H3,20,21,22,23,25)
InChIKeyZVFHZIPVERJONG-UHFFFAOYSA-N
XLogP2.87
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(methylamino)-N-(2-morpholin-4-yl-3-pyridinyl)propanamide;dihydrochloride
CID 119845852
3-amino-2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 120502859
2-amino-N-(2-morpholin-4-yl-3-pyridinyl)pentanamide;dihydrochloride
CID 119845832
2-methyl-3-[methyl-[(2-morpholin-4-yl-3-pyridinyl)carbamoyl]amino]propanoic acid
CID 122077569
N-(2-morpholin-4-yl-3-pyridinyl)-N',N'-di(propan-2-yl)oxamide
CID 166442532
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-3-pyridinyl)urea
CID 51124920
3-amino-2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)-3-phenylpropanamide
CID 119845839
1-ethyl-N-(2-morpholin-4-yl-3-pyridinyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 86850082
N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide
CID 119845829
3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)propanamide
CID 60576563
1-(2-morpholin-4-ylphenyl)-3-quinolin-8-ylurea
CID 108992558
4-amino-N-(2-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 119845870

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-3-(2-morpholin-4-yl-3-pyridinyl)urea?
The IUPAC name of 1-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-3-(2-morpholin-4-yl-3-pyridinyl)urea (CID 119049270) is 1-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-3-(2-morpholin-4-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-3-(2-morpholin-4-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-3-(2-morpholin-4-yl-3-pyridinyl)urea is CC(C)CCc1cc(NC(=O)Nc2cccnc2N2CCOCC2)n[nH]1.
What is the InChIKey of 1-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-3-(2-morpholin-4-yl-3-pyridinyl)urea?
The InChIKey is ZVFHZIPVERJONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-13(2)5-6-14-12-16(23-22-14)21-18(25)20-15-4-3-7-19-17(15)24-8-10-26-11-9-24/h3-4,7,12-13H,5-6,8-11H2,1-2H3,(H3,20,21,22,23,25).
What are the key properties of 1-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-3-(2-morpholin-4-yl-3-pyridinyl)urea?
1-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-3-(2-morpholin-4-yl-3-pyridinyl)urea has a molecular weight of 358.45 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-3-(2-morpholin-4-yl-3-pyridinyl)urea is sourced from PubChem (CID 119049270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).