3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1H-pyrrol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide

C23H23F3N8O — CID 155678687

IUPAC3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1H-pyrrol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide
SMILESCN1CCCC1CNC(=O)c1nc(-c2ccc3ncc(C(F)(F)F)n3c2)c(-c2ccc[nH]2)nc1N
InChIInChI=1S/C23H23F3N8O/c1-33-9-3-4-14(33)10-30-22(35)20-21(27)32-19(15-5-2-8-28-15)18(31-20)13-6-7-17-29-11-16(23(24,25)26)34(17)12-13/h2,5-8,11-12,14,28H,3-4,9-10H2,1H3,(H2,27,32)(H,30,35)
InChIKeyKVHOERAIBWMGGZ-UHFFFAOYSA-N
MW484.49 g/mol
LogP3.21
Rot. Bonds5

About 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1H-pyrrol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide

3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1H-pyrrol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide (PubChem CID 155678687) has the molecular formula C23H23F3N8O and a molecular weight of 484.49 g/mol. Its IUPAC name is 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1H-pyrrol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1H-pyrrol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide
PubChem CID155678687
Molecular FormulaC23H23F3N8O
Molecular Weight484.49 g/mol
Exact Mass484.19
IUPAC Name3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1H-pyrrol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide
SMILESCN1CCCC1CNC(=O)c1nc(-c2ccc3ncc(C(F)(F)F)n3c2)c(-c2ccc[nH]2)nc1N
InChIInChI=1S/C23H23F3N8O/c1-33-9-3-4-14(33)10-30-22(35)20-21(27)32-19(15-5-2-8-28-15)18(31-20)13-6-7-17-29-11-16(23(24,25)26)34(17)12-13/h2,5-8,11-12,14,28H,3-4,9-10H2,1H3,(H2,27,32)(H,30,35)
InChIKeyKVHOERAIBWMGGZ-UHFFFAOYSA-N
XLogP3.21
TPSA117.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.49
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1H-pyrrol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1H-pyrrol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide (CID 155678687) is 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1H-pyrrol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1H-pyrrol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1H-pyrrol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide is CN1CCCC1CNC(=O)c1nc(-c2ccc3ncc(C(F)(F)F)n3c2)c(-c2ccc[nH]2)nc1N.
What is the InChIKey of 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1H-pyrrol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide?
The InChIKey is KVHOERAIBWMGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N8O/c1-33-9-3-4-14(33)10-30-22(35)20-21(27)32-19(15-5-2-8-28-15)18(31-20)13-6-7-17-29-11-16(23(24,25)26)34(17)12-13/h2,5-8,11-12,14,28H,3-4,9-10H2,1H3,(H2,27,32)(H,30,35).
What are the key properties of 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1H-pyrrol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide?
3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1H-pyrrol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide has a molecular weight of 484.49 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1H-pyrrol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 155678687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).