(Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]prop-2-en-1-one

C23H27N5O4 — CID 167401035

IUPAC(Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]prop-2-en-1-one
SMILESCOc1ccc(-c2ccnc(/C=C(\N)C(=O)N3CCN(C(=O)C4CC4)CC3)n2)cc1OC
InChIInChI=1S/C23H27N5O4/c1-31-19-6-5-16(13-20(19)32-2)18-7-8-25-21(26-18)14-17(24)23(30)28-11-9-27(10-12-28)22(29)15-3-4-15/h5-8,13-15H,3-4,9-12,24H2,1-2H3/b17-14-
InChIKeySWGJUYZPMQQYOQ-VKAVYKQESA-N
MW437.50 g/mol
LogP1.54
Rot. Bonds6

About (Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]prop-2-en-1-one

(Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]prop-2-en-1-one (PubChem CID 167401035) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is (Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]prop-2-en-1-one
PubChem CID167401035
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name(Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]prop-2-en-1-one
SMILESCOc1ccc(-c2ccnc(/C=C(\N)C(=O)N3CCN(C(=O)C4CC4)CC3)n2)cc1OC
InChIInChI=1S/C23H27N5O4/c1-31-19-6-5-16(13-20(19)32-2)18-7-8-25-21(26-18)14-17(24)23(30)28-11-9-27(10-12-28)22(29)15-3-4-15/h5-8,13-15H,3-4,9-12,24H2,1-2H3/b17-14-
InChIKeySWGJUYZPMQQYOQ-VKAVYKQESA-N
XLogP1.54
TPSA110.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[(Z)-2-amino-3-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]prop-2-enoyl]-2,2-dimethylpiperazine-1-carboxylate
CID 167400712
4-[[2-amino-3-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]prop-2-enoyl]amino]-N-(2-piperidin-1-ylethyl)benzamide
CID 174151606
3-morpholin-4-ylpropyl 4-[[(Z)-2-amino-3-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]prop-2-enoyl]amino]benzoate
CID 167401022
cyclopropyl-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 155513128
2-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one
CID 16669834
ethyl 4-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]piperazine-1-carboxylate
CID 40975774
[4-[5-[(1S)-1-aminoethyl]-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 118934982
[1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 53030318
cyclohexyl-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone
CID 110363777
[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42541245
[3-amino-6-(3,4-dimethoxyphenyl)-2-pyridinyl]-morpholin-4-ylmethanone
CID 110171984
1-[(Z)-2-amino-3-[7-(3,4-dimethoxyphenyl)-3-methylideneazepin-2-yl]prop-2-enoyl]pyrrolidin-3-one
CID 163265036

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]prop-2-en-1-one?
The IUPAC name of (Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]prop-2-en-1-one (CID 167401035) is (Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]prop-2-en-1-one.
What is the SMILES notation for (Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]prop-2-en-1-one?
The canonical SMILES for (Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]prop-2-en-1-one is COc1ccc(-c2ccnc(/C=C(\N)C(=O)N3CCN(C(=O)C4CC4)CC3)n2)cc1OC.
What is the InChIKey of (Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]prop-2-en-1-one?
The InChIKey is SWGJUYZPMQQYOQ-VKAVYKQESA-N. The full InChI is InChI=1S/C23H27N5O4/c1-31-19-6-5-16(13-20(19)32-2)18-7-8-25-21(26-18)14-17(24)23(30)28-11-9-27(10-12-28)22(29)15-3-4-15/h5-8,13-15H,3-4,9-12,24H2,1-2H3/b17-14-.
What are the key properties of (Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]prop-2-en-1-one?
(Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]prop-2-en-1-one has a molecular weight of 437.50 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]prop-2-en-1-one is sourced from PubChem (CID 167401035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).