1-(2-methoxyphenyl)-3-[2-[1-(3-pyridin-4-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea

C24H28N6O3 — CID 25289876

IUPAC1-(2-methoxyphenyl)-3-[2-[1-(3-pyridin-4-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea
SMILESCOc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)CCc2ccncc2)CC1
InChIInChI=1S/C24H28N6O3/c1-33-21-5-3-2-4-20(21)27-24(32)28-22-10-15-26-30(22)19-11-16-29(17-12-19)23(31)7-6-18-8-13-25-14-9-18/h2-5,8-10,13-15,19H,6-7,11-12,16-17H2,1H3,(H2,27,28,32)
InChIKeyQRYHYAPSIUJTRQ-UHFFFAOYSA-N
MW448.53 g/mol
LogP3.73
Rot. Bonds7

About 1-(2-methoxyphenyl)-3-[2-[1-(3-pyridin-4-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea

1-(2-methoxyphenyl)-3-[2-[1-(3-pyridin-4-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea (PubChem CID 25289876) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[2-[1-(3-pyridin-4-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[2-[1-(3-pyridin-4-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea
PubChem CID25289876
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name1-(2-methoxyphenyl)-3-[2-[1-(3-pyridin-4-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea
SMILESCOc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)CCc2ccncc2)CC1
InChIInChI=1S/C24H28N6O3/c1-33-21-5-3-2-4-20(21)27-24(32)28-22-10-15-26-30(22)19-11-16-29(17-12-19)23(31)7-6-18-8-13-25-14-9-18/h2-5,8-10,13-15,19H,6-7,11-12,16-17H2,1H3,(H2,27,28,32)
InChIKeyQRYHYAPSIUJTRQ-UHFFFAOYSA-N
XLogP3.73
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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1-(2-methoxyphenyl)-3-[2-[1-(3-phenylbutyl)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-(3-pyridin-4-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[2-[1-(3-pyridin-4-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea (CID 25289876) is 1-(2-methoxyphenyl)-3-[2-[1-(3-pyridin-4-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[2-[1-(3-pyridin-4-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[2-[1-(3-pyridin-4-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea is COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)CCc2ccncc2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[2-[1-(3-pyridin-4-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea?
The InChIKey is QRYHYAPSIUJTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-33-21-5-3-2-4-20(21)27-24(32)28-22-10-15-26-30(22)19-11-16-29(17-12-19)23(31)7-6-18-8-13-25-14-9-18/h2-5,8-10,13-15,19H,6-7,11-12,16-17H2,1H3,(H2,27,28,32).
What are the key properties of 1-(2-methoxyphenyl)-3-[2-[1-(3-pyridin-4-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea?
1-(2-methoxyphenyl)-3-[2-[1-(3-pyridin-4-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea has a molecular weight of 448.53 g/mol, XLogP of 3.73, 7 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-(3-pyridin-4-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea is sourced from PubChem (CID 25289876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).