4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide

C20H18F2N4O — CID 90413195

IUPAC4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCNC(=O)N1CC=C(c2cc3c(-c4cccc(F)c4F)ccnc3[nH]2)CC1
InChIInChI=1S/C20H18F2N4O/c1-23-20(27)26-9-6-12(7-10-26)17-11-15-13(5-8-24-19(15)25-17)14-3-2-4-16(21)18(14)22/h2-6,8,11H,7,9-10H2,1H3,(H,23,27)(H,24,25)
InChIKeyXGVPHUYYONBSBD-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.94
Rot. Bonds2

About 4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide

4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 90413195) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is 4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID90413195
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCNC(=O)N1CC=C(c2cc3c(-c4cccc(F)c4F)ccnc3[nH]2)CC1
InChIInChI=1S/C20H18F2N4O/c1-23-20(27)26-9-6-12(7-10-26)17-11-15-13(5-8-24-19(15)25-17)14-3-2-4-16(21)18(14)22/h2-6,8,11H,7,9-10H2,1H3,(H,23,27)(H,24,25)
InChIKeyXGVPHUYYONBSBD-UHFFFAOYSA-N
XLogP3.94
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 90413195) is 4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide is CNC(=O)N1CC=C(c2cc3c(-c4cccc(F)c4F)ccnc3[nH]2)CC1.
What is the InChIKey of 4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is XGVPHUYYONBSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c1-23-20(27)26-9-6-12(7-10-26)17-11-15-13(5-8-24-19(15)25-17)14-3-2-4-16(21)18(14)22/h2-6,8,11H,7,9-10H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 90413195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).