4-ethyl-N-[1-(5-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide

C20H22N6O2 — CID 53189982

IUPAC4-ethyl-N-[1-(5-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide
SMILESCCc1ccc(C(=O)Nc2cnn(-c3ncncc3N3CCOCC3)c2)cc1
InChIInChI=1S/C20H22N6O2/c1-2-15-3-5-16(6-4-15)20(27)24-17-11-23-26(13-17)19-18(12-21-14-22-19)25-7-9-28-10-8-25/h3-6,11-14H,2,7-10H2,1H3,(H,24,27)
InChIKeyIJZDHJNZBYIVSS-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.31
Rot. Bonds5

About 4-ethyl-N-[1-(5-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide

4-ethyl-N-[1-(5-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide (PubChem CID 53189982) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-ethyl-N-[1-(5-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[1-(5-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide
PubChem CID53189982
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name4-ethyl-N-[1-(5-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide
SMILESCCc1ccc(C(=O)Nc2cnn(-c3ncncc3N3CCOCC3)c2)cc1
InChIInChI=1S/C20H22N6O2/c1-2-15-3-5-16(6-4-15)20(27)24-17-11-23-26(13-17)19-18(12-21-14-22-19)25-7-9-28-10-8-25/h3-6,11-14H,2,7-10H2,1H3,(H,24,27)
InChIKeyIJZDHJNZBYIVSS-UHFFFAOYSA-N
XLogP2.31
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

BI-1935
CID 57861407
GSK-3|A inhibitor 13
CID 134551592
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[5-(morpholin-4-yl)pyridin-3-yl]pyrimidin-4-yl]acetamide
CID 25074313
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 25
CID 44232695
6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-phenylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328252
6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-(2-methoxyethyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 84973156
4-(5-amino-1-pyridin-2-yl-1H-[1,2,4]triazol-3-ylamino)-N-(2-morpholin-4-yl-ethyl)-benzamide
CID 56593682
N-[3-[[[5-chloro-2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475625
(3S)-2-(2-methoxyethyl)-3-methyl-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 122604219
N-(2-methyl-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284195
US10774086, Example 17
CID 134551553
US10774086, Example 13
CID 134551589

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(5-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide?
The IUPAC name of 4-ethyl-N-[1-(5-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide (CID 53189982) is 4-ethyl-N-[1-(5-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-ethyl-N-[1-(5-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide?
The canonical SMILES for 4-ethyl-N-[1-(5-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide is CCc1ccc(C(=O)Nc2cnn(-c3ncncc3N3CCOCC3)c2)cc1.
What is the InChIKey of 4-ethyl-N-[1-(5-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide?
The InChIKey is IJZDHJNZBYIVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-2-15-3-5-16(6-4-15)20(27)24-17-11-23-26(13-17)19-18(12-21-14-22-19)25-7-9-28-10-8-25/h3-6,11-14H,2,7-10H2,1H3,(H,24,27).
What are the key properties of 4-ethyl-N-[1-(5-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide?
4-ethyl-N-[1-(5-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide has a molecular weight of 378.44 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(5-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 53189982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).