6-[3-[3-[(4-aminocyclohexyl)-methylamino]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one

C33H45N5O3 — CID 146899878

IUPAC6-[3-[3-[(4-aminocyclohexyl)-methylamino]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one
SMILESCC1=CC(=O)C(CCC(=O)c2cc(-c3cnn(CCN4CCOCC4)c3)cc(N(C)C3CCC(N)CC3)c2)C(C)=C1
InChIInChI=1S/C33H45N5O3/c1-23-16-24(2)31(33(40)17-23)8-9-32(39)26-18-25(19-30(20-26)36(3)29-6-4-28(34)5-7-29)27-21-35-38(22-27)11-10-37-12-14-41-15-13-37/h16-22,28-29,31H,4-15,34H2,1-3H3
InChIKeyCJRCPYXHJGPNQR-UHFFFAOYSA-N
MW559.76 g/mol
LogP4.64
Rot. Bonds10

About 6-[3-[3-[(4-aminocyclohexyl)-methylamino]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one

6-[3-[3-[(4-aminocyclohexyl)-methylamino]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one (PubChem CID 146899878) has the molecular formula C33H45N5O3 and a molecular weight of 559.76 g/mol. Its IUPAC name is 6-[3-[3-[(4-aminocyclohexyl)-methylamino]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-[3-[3-[(4-aminocyclohexyl)-methylamino]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one
PubChem CID146899878
Molecular FormulaC33H45N5O3
Molecular Weight559.76 g/mol
Exact Mass559.35
IUPAC Name6-[3-[3-[(4-aminocyclohexyl)-methylamino]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one
SMILESCC1=CC(=O)C(CCC(=O)c2cc(-c3cnn(CCN4CCOCC4)c3)cc(N(C)C3CCC(N)CC3)c2)C(C)=C1
InChIInChI=1S/C33H45N5O3/c1-23-16-24(2)31(33(40)17-23)8-9-32(39)26-18-25(19-30(20-26)36(3)29-6-4-28(34)5-7-29)27-21-35-38(22-27)11-10-37-12-14-41-15-13-37/h16-22,28-29,31H,4-15,34H2,1-3H3
InChIKeyCJRCPYXHJGPNQR-UHFFFAOYSA-N
XLogP4.64
TPSA93.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.76
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[3-[3-[(4-aminocyclohexyl)-methylamino]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-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

3-[(4-aminocyclohexyl)-methylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 146604694
3,5-dimethyl-6-[3-[2-methyl-3-[methyl(piperidin-4-yl)amino]-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-3-oxopropyl]cyclohexa-2,4-dien-1-one
CID 146899859
3-[cyclopentyl(methyl)amino]-2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide
CID 166958060
4-[2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazol-1-yl]ethyl]morpholine
CID 171431398
6-[3-[3-[(1-acetylpiperidin-4-yl)-methylamino]-5-chloro-2-methylphenyl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one
CID 162278234
4-[4-[2-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexan-1-ol
CID 118234168
4-[2-[4-[7-(cyclohexylmethoxy)-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine
CID 121379344
[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea
CID 90288240
N-[1-[2-[4-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazol-1-yl]ethyl]piperidin-4-yl]acetamide
CID 167108895
4-[3-(4-pyridin-3-ylpyrazol-1-yl)propyl]morpholine
CID 141300555
N-methyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-amine
CID 141200703
4-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-4-oxobutanamide
CID 90607266

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-[(4-aminocyclohexyl)-methylamino]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one?
The IUPAC name of 6-[3-[3-[(4-aminocyclohexyl)-methylamino]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one (CID 146899878) is 6-[3-[3-[(4-aminocyclohexyl)-methylamino]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-[3-[3-[(4-aminocyclohexyl)-methylamino]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-[3-[3-[(4-aminocyclohexyl)-methylamino]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one is CC1=CC(=O)C(CCC(=O)c2cc(-c3cnn(CCN4CCOCC4)c3)cc(N(C)C3CCC(N)CC3)c2)C(C)=C1.
What is the InChIKey of 6-[3-[3-[(4-aminocyclohexyl)-methylamino]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one?
The InChIKey is CJRCPYXHJGPNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45N5O3/c1-23-16-24(2)31(33(40)17-23)8-9-32(39)26-18-25(19-30(20-26)36(3)29-6-4-28(34)5-7-29)27-21-35-38(22-27)11-10-37-12-14-41-15-13-37/h16-22,28-29,31H,4-15,34H2,1-3H3.
What are the key properties of 6-[3-[3-[(4-aminocyclohexyl)-methylamino]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one?
6-[3-[3-[(4-aminocyclohexyl)-methylamino]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one has a molecular weight of 559.76 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-[(4-aminocyclohexyl)-methylamino]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 146899878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).