N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide

C25H26N6O2 — CID 156713247

IUPACN-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2nccc(-c3c4ccccc4nn3C)n2)c(OC)cc1CCC
InChIInChI=1S/C25H26N6O2/c1-5-9-16-14-22(33-4)21(15-20(16)27-23(32)6-2)29-25-26-13-12-19(28-25)24-17-10-7-8-11-18(17)30-31(24)3/h6-8,10-15H,2,5,9H2,1,3-4H3,(H,27,32)(H,26,28,29)
InChIKeyOTQSVEDUNAOWHJ-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.86
Rot. Bonds8

About N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide

N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide (PubChem CID 156713247) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide
PubChem CID156713247
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC NameN-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2nccc(-c3c4ccccc4nn3C)n2)c(OC)cc1CCC
InChIInChI=1S/C25H26N6O2/c1-5-9-16-14-22(33-4)21(15-20(16)27-23(32)6-2)29-25-26-13-12-19(28-25)24-17-10-7-8-11-18(17)30-31(24)3/h6-8,10-15H,2,5,9H2,1,3-4H3,(H,27,32)(H,26,28,29)
InChIKeyOTQSVEDUNAOWHJ-UHFFFAOYSA-N
XLogP4.86
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide 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

N,N-dimethylpropan-1-amine;N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide
CID 156713246
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 138622311
N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-ethyl-2-propylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide
CID 139313549
ethyl 2-[5-methoxy-N-methyl-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(prop-2-enoylamino)anilino]-2-(methylamino)acetate
CID 162515198
N-[2-[2-(dimethylamino)ethyl-nitrosoamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 175665475
N-[2-(2-hydroxyethylamino)-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 171103742
N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]prop-2-enamide
CID 121404172
CID 145016786
CID 145016786
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methoxyindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 137437459
2-[5-methoxy-N-methyl-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(prop-2-enoylamino)anilino]ethyl-methylcarbamic acid
CID 89414732
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(trifluoromethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 138705141
N-[2-[5-(dimethylamino)pent-1-en-2-yl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 146671106

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide?
The IUPAC name of N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide (CID 156713247) is N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide.
What is the SMILES notation for N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide?
The canonical SMILES for N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2nccc(-c3c4ccccc4nn3C)n2)c(OC)cc1CCC.
What is the InChIKey of N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide?
The InChIKey is OTQSVEDUNAOWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-5-9-16-14-22(33-4)21(15-20(16)27-23(32)6-2)29-25-26-13-12-19(28-25)24-17-10-7-8-11-18(17)30-31(24)3/h6-8,10-15H,2,5,9H2,1,3-4H3,(H,27,32)(H,26,28,29).
What are the key properties of N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide?
N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide has a molecular weight of 442.52 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide is sourced from PubChem (CID 156713247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).