1-(2-methoxyphenyl)-3-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea

C22H24N6O3 — CID 24819333

IUPAC1-(2-methoxyphenyl)-3-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
SMILESCOc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C22H24N6O3/c1-31-19-7-3-2-6-18(19)25-22(30)26-20-8-12-24-28(20)17-9-13-27(14-10-17)21(29)16-5-4-11-23-15-16/h2-8,11-12,15,17H,9-10,13-14H2,1H3,(H2,25,26,30)
InChIKeyAOSLQFNORIVQEG-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.41
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea

1-(2-methoxyphenyl)-3-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea (PubChem CID 24819333) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
PubChem CID24819333
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name1-(2-methoxyphenyl)-3-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
SMILESCOc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C22H24N6O3/c1-31-19-7-3-2-6-18(19)25-22(30)26-20-8-12-24-28(20)17-9-13-27(14-10-17)21(29)16-5-4-11-23-15-16/h2-8,11-12,15,17H,9-10,13-14H2,1H3,(H2,25,26,30)
InChIKeyAOSLQFNORIVQEG-UHFFFAOYSA-N
XLogP3.41
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
CID 26391328
1-(2-methoxyphenyl)-3-[2-[1-(2-oxopropanoyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 56756469
1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
CID 56742934
1-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
CID 25453482
N-ethyl-4-[5-[(2-methoxyphenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide
CID 42513641
1-[2-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
CID 26396065
1-(2-methoxyphenyl)-3-[2-[1-(3-pyridin-4-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 25289876
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CID 26336813
1-(2-methoxyphenyl)-3-[2-[1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]urea
CID 26336058
N'-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 71786317
1-(2-methoxyphenyl)-3-[2-[1-(3-phenylbutyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 45242231
1-(2-chlorophenyl)-3-[2-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea (CID 24819333) is 1-(2-methoxyphenyl)-3-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea is COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea?
The InChIKey is AOSLQFNORIVQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-31-19-7-3-2-6-18(19)25-22(30)26-20-8-12-24-28(20)17-9-13-27(14-10-17)21(29)16-5-4-11-23-15-16/h2-8,11-12,15,17H,9-10,13-14H2,1H3,(H2,25,26,30).
What are the key properties of 1-(2-methoxyphenyl)-3-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea?
1-(2-methoxyphenyl)-3-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea has a molecular weight of 420.47 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea is sourced from PubChem (CID 24819333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).