1-[(2,5-difluorophenyl)methyl]-7-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one

C30H31F2N5O2 — CID 24853125

IUPAC1-[(2,5-difluorophenyl)methyl]-7-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one
SMILESO=C(c1ccc(-c2cnc3c(c2)N(Cc2cc(F)ccc2F)C(=O)CN3)cc1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C30H31F2N5O2/c31-24-7-8-26(32)23(15-24)19-37-27-16-22(17-33-29(27)34-18-28(37)38)20-3-5-21(6-4-20)30(39)36-13-9-25(10-14-36)35-11-1-2-12-35/h3-8,15-17,25H,1-2,9-14,18-19H2,(H,33,34)
InChIKeyLMEZYAIKLQEEFP-UHFFFAOYSA-N
MW531.61 g/mol
LogP4.69
Rot. Bonds5

About 1-[(2,5-difluorophenyl)methyl]-7-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one

1-[(2,5-difluorophenyl)methyl]-7-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 24853125) has the molecular formula C30H31F2N5O2 and a molecular weight of 531.61 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-7-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-7-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID24853125
Molecular FormulaC30H31F2N5O2
Molecular Weight531.61 g/mol
Exact Mass531.24
IUPAC Name1-[(2,5-difluorophenyl)methyl]-7-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one
SMILESO=C(c1ccc(-c2cnc3c(c2)N(Cc2cc(F)ccc2F)C(=O)CN3)cc1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C30H31F2N5O2/c31-24-7-8-26(32)23(15-24)19-37-27-16-22(17-33-29(27)34-18-28(37)38)20-3-5-21(6-4-20)30(39)36-13-9-25(10-14-36)35-11-1-2-12-35/h3-8,15-17,25H,1-2,9-14,18-19H2,(H,33,34)
InChIKeyLMEZYAIKLQEEFP-UHFFFAOYSA-N
XLogP4.69
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.61
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2,5-difluorophenyl)methyl]-7-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-7-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-7-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one (CID 24853125) is 1-[(2,5-difluorophenyl)methyl]-7-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-7-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-7-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one is O=C(c1ccc(-c2cnc3c(c2)N(Cc2cc(F)ccc2F)C(=O)CN3)cc1)N1CCC(N2CCCC2)CC1.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-7-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is LMEZYAIKLQEEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F2N5O2/c31-24-7-8-26(32)23(15-24)19-37-27-16-22(17-33-29(27)34-18-28(37)38)20-3-5-21(6-4-20)30(39)36-13-9-25(10-14-36)35-11-1-2-12-35/h3-8,15-17,25H,1-2,9-14,18-19H2,(H,33,34).
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-7-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one?
1-[(2,5-difluorophenyl)methyl]-7-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 531.61 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-7-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 24853125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).