N-(2,2-difluoroethyl)-1-[(3,5-dimethylpyrazin-2-yl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide

C18H19F2N5O — CID 90467310

IUPACN-(2,2-difluoroethyl)-1-[(3,5-dimethylpyrazin-2-yl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCc1cnc2c(C(=O)NCC(F)F)cn(Cc3ncc(C)nc3C)c2c1
InChIInChI=1S/C18H19F2N5O/c1-10-4-15-17(22-5-10)13(18(26)23-7-16(19)20)8-25(15)9-14-12(3)24-11(2)6-21-14/h4-6,8,16H,7,9H2,1-3H3,(H,23,26)
InChIKeyOYYZKUKSRRLUSP-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.79
Rot. Bonds5

About N-(2,2-difluoroethyl)-1-[(3,5-dimethylpyrazin-2-yl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide

N-(2,2-difluoroethyl)-1-[(3,5-dimethylpyrazin-2-yl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 90467310) has the molecular formula C18H19F2N5O and a molecular weight of 359.38 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-[(3,5-dimethylpyrazin-2-yl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-[(3,5-dimethylpyrazin-2-yl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID90467310
Molecular FormulaC18H19F2N5O
Molecular Weight359.38 g/mol
Exact Mass359.16
IUPAC NameN-(2,2-difluoroethyl)-1-[(3,5-dimethylpyrazin-2-yl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCc1cnc2c(C(=O)NCC(F)F)cn(Cc3ncc(C)nc3C)c2c1
InChIInChI=1S/C18H19F2N5O/c1-10-4-15-17(22-5-10)13(18(26)23-7-16(19)20)8-25(15)9-14-12(3)24-11(2)6-21-14/h4-6,8,16H,7,9H2,1-3H3,(H,23,26)
InChIKeyOYYZKUKSRRLUSP-UHFFFAOYSA-N
XLogP2.79
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-[(3,5-dimethylpyrazin-2-yl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1-[(3,5-dimethylpyrazin-2-yl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide (CID 90467310) is N-(2,2-difluoroethyl)-1-[(3,5-dimethylpyrazin-2-yl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-[(3,5-dimethylpyrazin-2-yl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1-[(3,5-dimethylpyrazin-2-yl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide is Cc1cnc2c(C(=O)NCC(F)F)cn(Cc3ncc(C)nc3C)c2c1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-[(3,5-dimethylpyrazin-2-yl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is OYYZKUKSRRLUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O/c1-10-4-15-17(22-5-10)13(18(26)23-7-16(19)20)8-25(15)9-14-12(3)24-11(2)6-21-14/h4-6,8,16H,7,9H2,1-3H3,(H,23,26).
What are the key properties of N-(2,2-difluoroethyl)-1-[(3,5-dimethylpyrazin-2-yl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
N-(2,2-difluoroethyl)-1-[(3,5-dimethylpyrazin-2-yl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-[(3,5-dimethylpyrazin-2-yl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 90467310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).