ethane;6-methyl-7-[4-(methylamino)phenyl]-8-(4-pyrimidin-2-yloxyphenyl)pyrrolo[1,2-a]pyrazin-1-amine;prop-2-enal

C32H38N6O2 — CID 171535734

IUPACethane;6-methyl-7-[4-(methylamino)phenyl]-8-(4-pyrimidin-2-yloxyphenyl)pyrrolo[1,2-a]pyrazin-1-amine;prop-2-enal
SMILESC=CC=O.CC.CC.CNc1ccc(-c2c(-c3ccc(Oc4ncccn4)cc3)c3c(N)nccn3c2C)cc1
InChIInChI=1S/C25H22N6O.C3H4O.2C2H6/c1-16-21(17-4-8-19(27-2)9-5-17)22(23-24(26)28-14-15-31(16)23)18-6-10-20(11-7-18)32-25-29-12-3-13-30-25;1-2-3-4;2*1-2/h3-15,27H,1-2H3,(H2,26,28);2-3H,1H2;2*1-2H3
InChIKeyIYWAAUMNQNFIJI-UHFFFAOYSA-N
MW538.70 g/mol
LogP7.61
Rot. Bonds6

About ethane;6-methyl-7-[4-(methylamino)phenyl]-8-(4-pyrimidin-2-yloxyphenyl)pyrrolo[1,2-a]pyrazin-1-amine;prop-2-enal

ethane;6-methyl-7-[4-(methylamino)phenyl]-8-(4-pyrimidin-2-yloxyphenyl)pyrrolo[1,2-a]pyrazin-1-amine;prop-2-enal (PubChem CID 171535734) has the molecular formula C32H38N6O2 and a molecular weight of 538.70 g/mol. Its IUPAC name is ethane;6-methyl-7-[4-(methylamino)phenyl]-8-(4-pyrimidin-2-yloxyphenyl)pyrrolo[1,2-a]pyrazin-1-amine;prop-2-enal.

Molecular Properties

Compound Nameethane;6-methyl-7-[4-(methylamino)phenyl]-8-(4-pyrimidin-2-yloxyphenyl)pyrrolo[1,2-a]pyrazin-1-amine;prop-2-enal
PubChem CID171535734
Molecular FormulaC32H38N6O2
Molecular Weight538.70 g/mol
Exact Mass538.31
IUPAC Nameethane;6-methyl-7-[4-(methylamino)phenyl]-8-(4-pyrimidin-2-yloxyphenyl)pyrrolo[1,2-a]pyrazin-1-amine;prop-2-enal
SMILESC=CC=O.CC.CC.CNc1ccc(-c2c(-c3ccc(Oc4ncccn4)cc3)c3c(N)nccn3c2C)cc1
InChIInChI=1S/C25H22N6O.C3H4O.2C2H6/c1-16-21(17-4-8-19(27-2)9-5-17)22(23-24(26)28-14-15-31(16)23)18-6-10-20(11-7-18)32-25-29-12-3-13-30-25;1-2-3-4;2*1-2/h3-15,27H,1-2H3,(H2,26,28);2-3H,1H2;2*1-2H3
InChIKeyIYWAAUMNQNFIJI-UHFFFAOYSA-N
XLogP7.61
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.70
LogP ≤ 57.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethane;6-methyl-7-[4-(methylamino)phenyl]-8-(4-pyrimidin-2-yloxyphenyl)pyrrolo[1,2-a]pyrazin-1-amine;prop-2-enal 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

8-(4-methoxyphenyl)-6-methyl-7-(4-nitrophenyl)pyrrolo[1,2-a]pyrazin-1-amine
CID 171535640
1-[9-[1-amino-8-(4-hydroxyphenyl)-6-methylpyrrolo[1,2-a]pyrazin-7-yl]-3-azaspiro[5.5]undec-9-en-3-yl]prop-2-en-1-one;ethane
CID 171535759
3-(4-aminophenyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44538701
ethane;N-methyl-4-(4-methylphenoxy)aniline;toluene
CID 144508046
formic acid;N-[4-methyl-2-(4-pyrimidin-2-yloxyphenyl)quinolin-6-yl]acetamide
CID 171338597
3-(furan-3-yl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44538803
2-[4-(methylamino)phenoxy]pyridine-3-carboxamide
CID 54909137
3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44538805
N-[4-[4-amino-5-(3-methoxy-4-pyrimidin-2-yloxyphenyl)pyrazolo[5,1-f][1,2,4]triazin-6-yl]phenyl]prop-2-enamide
CID 171853310
3-methyl-7-[4-(4-methylpyrimidin-2-yl)oxyphenyl]-6-[4-(prop-2-enoylamino)phenyl]pyrrolo[1,2-a]pyrazine-8-carboxamide
CID 176889233
N-[7-[4-amino-7-methyl-5-[4-(4-methylpyrimidin-2-yl)oxyphenyl]pyrrolo[2,3-d]pyrimidin-6-yl]naphthalen-2-yl]prop-2-enamide
CID 155309475
4-(5-methyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)benzaldehyde
CID 86630668

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-7-[4-(methylamino)phenyl]-8-(4-pyrimidin-2-yloxyphenyl)pyrrolo[1,2-a]pyrazin-1-amine;prop-2-enal?
The IUPAC name of ethane;6-methyl-7-[4-(methylamino)phenyl]-8-(4-pyrimidin-2-yloxyphenyl)pyrrolo[1,2-a]pyrazin-1-amine;prop-2-enal (CID 171535734) is ethane;6-methyl-7-[4-(methylamino)phenyl]-8-(4-pyrimidin-2-yloxyphenyl)pyrrolo[1,2-a]pyrazin-1-amine;prop-2-enal.
What is the SMILES notation for ethane;6-methyl-7-[4-(methylamino)phenyl]-8-(4-pyrimidin-2-yloxyphenyl)pyrrolo[1,2-a]pyrazin-1-amine;prop-2-enal?
The canonical SMILES for ethane;6-methyl-7-[4-(methylamino)phenyl]-8-(4-pyrimidin-2-yloxyphenyl)pyrrolo[1,2-a]pyrazin-1-amine;prop-2-enal is C=CC=O.CC.CC.CNc1ccc(-c2c(-c3ccc(Oc4ncccn4)cc3)c3c(N)nccn3c2C)cc1.
What is the InChIKey of ethane;6-methyl-7-[4-(methylamino)phenyl]-8-(4-pyrimidin-2-yloxyphenyl)pyrrolo[1,2-a]pyrazin-1-amine;prop-2-enal?
The InChIKey is IYWAAUMNQNFIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O.C3H4O.2C2H6/c1-16-21(17-4-8-19(27-2)9-5-17)22(23-24(26)28-14-15-31(16)23)18-6-10-20(11-7-18)32-25-29-12-3-13-30-25;1-2-3-4;2*1-2/h3-15,27H,1-2H3,(H2,26,28);2-3H,1H2;2*1-2H3.
What are the key properties of ethane;6-methyl-7-[4-(methylamino)phenyl]-8-(4-pyrimidin-2-yloxyphenyl)pyrrolo[1,2-a]pyrazin-1-amine;prop-2-enal?
ethane;6-methyl-7-[4-(methylamino)phenyl]-8-(4-pyrimidin-2-yloxyphenyl)pyrrolo[1,2-a]pyrazin-1-amine;prop-2-enal has a molecular weight of 538.70 g/mol, XLogP of 7.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-7-[4-(methylamino)phenyl]-8-(4-pyrimidin-2-yloxyphenyl)pyrrolo[1,2-a]pyrazin-1-amine;prop-2-enal is sourced from PubChem (CID 171535734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).