N-(3,4-difluorophenyl)-N-methyl-3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide

C23H17F2N5O — CID 74767030

IUPACN-(3,4-difluorophenyl)-N-methyl-3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc4c(ccn4C)c3)cnc2cn1)c1ccc(F)c(F)c1
InChIInChI=1S/C23H17F2N5O/c1-28-8-7-15-9-14(3-6-20(15)28)21-11-27-22-12-26-19(13-30(21)22)23(31)29(2)16-4-5-17(24)18(25)10-16/h3-13H,1-2H3
InChIKeyRUTCYHSBLTVVQV-UHFFFAOYSA-N
MW417.42 g/mol
LogP4.44
Rot. Bonds3

About N-(3,4-difluorophenyl)-N-methyl-3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide

N-(3,4-difluorophenyl)-N-methyl-3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 74767030) has the molecular formula C23H17F2N5O and a molecular weight of 417.42 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N-methyl-3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-N-methyl-3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID74767030
Molecular FormulaC23H17F2N5O
Molecular Weight417.42 g/mol
Exact Mass417.14
IUPAC NameN-(3,4-difluorophenyl)-N-methyl-3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc4c(ccn4C)c3)cnc2cn1)c1ccc(F)c(F)c1
InChIInChI=1S/C23H17F2N5O/c1-28-8-7-15-9-14(3-6-20(15)28)21-11-27-22-12-26-19(13-30(21)22)23(31)29(2)16-4-5-17(24)18(25)10-16/h3-13H,1-2H3
InChIKeyRUTCYHSBLTVVQV-UHFFFAOYSA-N
XLogP4.44
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-N-methyl-3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-N-methyl-3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide (CID 74767030) is N-(3,4-difluorophenyl)-N-methyl-3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-N-methyl-3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-N-methyl-3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide is CN(C(=O)c1cn2c(-c3ccc4c(ccn4C)c3)cnc2cn1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-N-methyl-3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is RUTCYHSBLTVVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5O/c1-28-8-7-15-9-14(3-6-20(15)28)21-11-27-22-12-26-19(13-30(21)22)23(31)29(2)16-4-5-17(24)18(25)10-16/h3-13H,1-2H3.
What are the key properties of N-(3,4-difluorophenyl)-N-methyl-3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide?
N-(3,4-difluorophenyl)-N-methyl-3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 417.42 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-N-methyl-3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 74767030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).