1-[3-[7-(2,3-difluoro-4-pyridin-2-yloxyphenyl)pyrrolo[1,2-c]pyrimidin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one

C25H20F2N4O2 — CID 134264536

IUPAC1-[3-[7-(2,3-difluoro-4-pyridin-2-yloxyphenyl)pyrrolo[1,2-c]pyrimidin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(c2cc(-c3ccc(Oc4ccccn4)c(F)c3F)n3cnccc23)C1
InChIInChI=1S/C25H20F2N4O2/c1-2-23(32)30-12-9-16(14-30)18-13-20(31-15-28-11-8-19(18)31)17-6-7-21(25(27)24(17)26)33-22-5-3-4-10-29-22/h2-8,10-11,13,15-16H,1,9,12,14H2
InChIKeyZWBHONZRRKZNPC-UHFFFAOYSA-N
MW446.46 g/mol
LogP4.97
Rot. Bonds5

About 1-[3-[7-(2,3-difluoro-4-pyridin-2-yloxyphenyl)pyrrolo[1,2-c]pyrimidin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one

1-[3-[7-(2,3-difluoro-4-pyridin-2-yloxyphenyl)pyrrolo[1,2-c]pyrimidin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 134264536) has the molecular formula C25H20F2N4O2 and a molecular weight of 446.46 g/mol. Its IUPAC name is 1-[3-[7-(2,3-difluoro-4-pyridin-2-yloxyphenyl)pyrrolo[1,2-c]pyrimidin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[3-[7-(2,3-difluoro-4-pyridin-2-yloxyphenyl)pyrrolo[1,2-c]pyrimidin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one
PubChem CID134264536
Molecular FormulaC25H20F2N4O2
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC Name1-[3-[7-(2,3-difluoro-4-pyridin-2-yloxyphenyl)pyrrolo[1,2-c]pyrimidin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(c2cc(-c3ccc(Oc4ccccn4)c(F)c3F)n3cnccc23)C1
InChIInChI=1S/C25H20F2N4O2/c1-2-23(32)30-12-9-16(14-30)18-13-20(31-15-28-11-8-19(18)31)17-6-7-21(25(27)24(17)26)33-22-5-3-4-10-29-22/h2-8,10-11,13,15-16H,1,9,12,14H2
InChIKeyZWBHONZRRKZNPC-UHFFFAOYSA-N
XLogP4.97
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-[7-(2,3-difluoro-4-pyridin-2-yloxyphenyl)pyrrolo[1,2-c]pyrimidin-5-yl]pyrrolidin-1-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

1-[3-[7-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrrolo[1,2-c]pyrimidin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 134264682
2-fluoro-4-[5-(1-prop-2-enoylpyrrolidin-3-yl)pyrrolo[1,2-c]pyrimidin-7-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 134264547
3-(3-fluoro-4-phenylmethoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one
CID 129052791
[4-(aminomethyl)piperidin-1-yl]-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone;formic acid
CID 154943152
1-[4-[4-[3-fluoro-4-(pyridin-2-ylmethoxy)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]piperidin-1-yl]prop-2-en-1-one
CID 170931468
1-[3-[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-3-pyridinyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 168965621
1-[(3R)-3-[4-amino-3-[2-fluoro-6-(2-fluorophenoxy)-3-pyridinyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 134531728
3-[3-fluoro-4-(3-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one
CID 129032038
1-[3-[5-amino-3-[3-fluoro-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]imidazo[1,5-c]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 134264684
1-[3-[2-amino-6-[(2-methoxy-4-pyridin-2-yloxycyclohexyl)methyl]quinazolin-8-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 167083038
1-[3-[4-[1-(difluoromethyl)pyrrol-3-yl]-6-(4-fluorophenyl)-3-pyridinyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 169043539
3-(3-chloro-4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)imidazo[4,5-c]pyridin-2-one
CID 129031940

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(2,3-difluoro-4-pyridin-2-yloxyphenyl)pyrrolo[1,2-c]pyrimidin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[3-[7-(2,3-difluoro-4-pyridin-2-yloxyphenyl)pyrrolo[1,2-c]pyrimidin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one (CID 134264536) is 1-[3-[7-(2,3-difluoro-4-pyridin-2-yloxyphenyl)pyrrolo[1,2-c]pyrimidin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[3-[7-(2,3-difluoro-4-pyridin-2-yloxyphenyl)pyrrolo[1,2-c]pyrimidin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[3-[7-(2,3-difluoro-4-pyridin-2-yloxyphenyl)pyrrolo[1,2-c]pyrimidin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(c2cc(-c3ccc(Oc4ccccn4)c(F)c3F)n3cnccc23)C1.
What is the InChIKey of 1-[3-[7-(2,3-difluoro-4-pyridin-2-yloxyphenyl)pyrrolo[1,2-c]pyrimidin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one?
The InChIKey is ZWBHONZRRKZNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O2/c1-2-23(32)30-12-9-16(14-30)18-13-20(31-15-28-11-8-19(18)31)17-6-7-21(25(27)24(17)26)33-22-5-3-4-10-29-22/h2-8,10-11,13,15-16H,1,9,12,14H2.
What are the key properties of 1-[3-[7-(2,3-difluoro-4-pyridin-2-yloxyphenyl)pyrrolo[1,2-c]pyrimidin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one?
1-[3-[7-(2,3-difluoro-4-pyridin-2-yloxyphenyl)pyrrolo[1,2-c]pyrimidin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 446.46 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-(2,3-difluoro-4-pyridin-2-yloxyphenyl)pyrrolo[1,2-c]pyrimidin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 134264536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).