3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2-carboxamide

C25H26FN7O — CID 146380306

IUPAC3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(C(=O)NCC4CCCN4C)c(N)nc3-c3ccc(F)cc3)cn12
InChIInChI=1S/C25H26FN7O/c1-15-12-28-20-10-7-17(14-33(15)20)22-21(16-5-8-18(26)9-6-16)31-24(27)23(30-22)25(34)29-13-19-4-3-11-32(19)2/h5-10,12,14,19H,3-4,11,13H2,1-2H3,(H2,27,31)(H,29,34)
InChIKeyOFCZNIJHHVHDCZ-UHFFFAOYSA-N
MW459.53 g/mol
LogP3.31
Rot. Bonds5

About 3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2-carboxamide

3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2-carboxamide (PubChem CID 146380306) has the molecular formula C25H26FN7O and a molecular weight of 459.53 g/mol. Its IUPAC name is 3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2-carboxamide
PubChem CID146380306
Molecular FormulaC25H26FN7O
Molecular Weight459.53 g/mol
Exact Mass459.22
IUPAC Name3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(C(=O)NCC4CCCN4C)c(N)nc3-c3ccc(F)cc3)cn12
InChIInChI=1S/C25H26FN7O/c1-15-12-28-20-10-7-17(14-33(15)20)22-21(16-5-8-18(26)9-6-16)31-24(27)23(30-22)25(34)29-13-19-4-3-11-32(19)2/h5-10,12,14,19H,3-4,11,13H2,1-2H3,(H2,27,31)(H,29,34)
InChIKeyOFCZNIJHHVHDCZ-UHFFFAOYSA-N
XLogP3.31
TPSA101.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2-carboxamide (CID 146380306) is 3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2-carboxamide is Cc1cnc2ccc(-c3nc(C(=O)NCC4CCCN4C)c(N)nc3-c3ccc(F)cc3)cn12.
What is the InChIKey of 3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is OFCZNIJHHVHDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O/c1-15-12-28-20-10-7-17(14-33(15)20)22-21(16-5-8-18(26)9-6-16)31-24(27)23(30-22)25(34)29-13-19-4-3-11-32(19)2/h5-10,12,14,19H,3-4,11,13H2,1-2H3,(H2,27,31)(H,29,34).
What are the key properties of 3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2-carboxamide?
3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 459.53 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 146380306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).