2-[6-fluoro-2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C20H20FN5O — CID 71731514

IUPAC2-[6-fluoro-2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCc1nc2ccc(F)c(-c3cc4c([nH]3)CCNC4=O)c2nc1NC1(C)CC1
InChIInChI=1S/C20H20FN5O/c1-10-18(26-20(2)6-7-20)25-17-14(23-10)4-3-12(21)16(17)15-9-11-13(24-15)5-8-22-19(11)27/h3-4,9,24H,5-8H2,1-2H3,(H,22,27)(H,25,26)
InChIKeyNDQPAYWKSVOGPA-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.32
Rot. Bonds3

About 2-[6-fluoro-2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-[6-fluoro-2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 71731514) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-[6-fluoro-2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[6-fluoro-2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID71731514
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name2-[6-fluoro-2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCc1nc2ccc(F)c(-c3cc4c([nH]3)CCNC4=O)c2nc1NC1(C)CC1
InChIInChI=1S/C20H20FN5O/c1-10-18(26-20(2)6-7-20)25-17-14(23-10)4-3-12(21)16(17)15-9-11-13(24-15)5-8-22-19(11)27/h3-4,9,24H,5-8H2,1-2H3,(H,22,27)(H,25,26)
InChIKeyNDQPAYWKSVOGPA-UHFFFAOYSA-N
XLogP3.32
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[6-fluoro-2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 71731514) is 2-[6-fluoro-2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[6-fluoro-2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[6-fluoro-2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is Cc1nc2ccc(F)c(-c3cc4c([nH]3)CCNC4=O)c2nc1NC1(C)CC1.
What is the InChIKey of 2-[6-fluoro-2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is NDQPAYWKSVOGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-10-18(26-20(2)6-7-20)25-17-14(23-10)4-3-12(21)16(17)15-9-11-13(24-15)5-8-22-19(11)27/h3-4,9,24H,5-8H2,1-2H3,(H,22,27)(H,25,26).
What are the key properties of 2-[6-fluoro-2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-[6-fluoro-2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 365.41 g/mol, XLogP of 3.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 71731514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).