3-(4-methoxyphenyl)-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide

C22H26N6O2 — CID 53168015

IUPAC3-(4-methoxyphenyl)-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2cnn(-c3ncc(N4CCCCC4)cn3)c2)cc1
InChIInChI=1S/C22H26N6O2/c1-30-20-8-5-17(6-9-20)7-10-21(29)26-18-13-25-28(16-18)22-23-14-19(15-24-22)27-11-3-2-4-12-27/h5-6,8-9,13-16H,2-4,7,10-12H2,1H3,(H,26,29)
InChIKeyHPABFHUEXOEENF-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.23
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide

3-(4-methoxyphenyl)-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide (PubChem CID 53168015) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide
PubChem CID53168015
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name3-(4-methoxyphenyl)-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2cnn(-c3ncc(N4CCCCC4)cn3)c2)cc1
InChIInChI=1S/C22H26N6O2/c1-30-20-8-5-17(6-9-20)7-10-21(29)26-18-13-25-28(16-18)22-23-14-19(15-24-22)27-11-3-2-4-12-27/h5-6,8-9,13-16H,2-4,7,10-12H2,1H3,(H,26,29)
InChIKeyHPABFHUEXOEENF-UHFFFAOYSA-N
XLogP3.23
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide
CID 53167988
2-(3-methoxyphenyl)-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide
CID 53167952
2-(3-methoxyphenyl)-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide
CID 53168028
N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-3-(3-methoxyphenyl)propanamide
CID 53167940
N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-(4-methoxyphenyl)propanamide
CID 16889766
3-(3,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 26689927
3-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide
CID 17148804
5-chloro-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]thiophene-2-carboxamide
CID 53168005
N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182753
3-(4-methoxyphenyl)-N-(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
CID 110237958
methyl 4-[3-(4-pyrrolidin-1-ylphenyl)propanoylamino]benzoate
CID 110650646
N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide
CID 110288167

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide (CID 53168015) is 3-(4-methoxyphenyl)-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide is COc1ccc(CCC(=O)Nc2cnn(-c3ncc(N4CCCCC4)cn3)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide?
The InChIKey is HPABFHUEXOEENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-30-20-8-5-17(6-9-20)7-10-21(29)26-18-13-25-28(16-18)22-23-14-19(15-24-22)27-11-3-2-4-12-27/h5-6,8-9,13-16H,2-4,7,10-12H2,1H3,(H,26,29).
What are the key properties of 3-(4-methoxyphenyl)-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide?
3-(4-methoxyphenyl)-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide has a molecular weight of 406.49 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 53168015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).