4-cyclopropyl-6-[7-(2,4-difluorophenyl)-7-hydroxy-5-oxopyrrolo[3,4-b]pyridin-6-yl]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one

C25H21F2N5O3 — CID 139404674

IUPAC4-cyclopropyl-6-[7-(2,4-difluorophenyl)-7-hydroxy-5-oxopyrrolo[3,4-b]pyridin-6-yl]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
SMILESCC1C(=O)N(C)c2ccc(N3C(=O)c4cccnc4C3(O)c3ccc(F)cc3F)nc2N1C1CC1
InChIInChI=1S/C25H21F2N5O3/c1-13-23(33)30(2)19-9-10-20(29-22(19)31(13)15-6-7-15)32-24(34)16-4-3-11-28-21(16)25(32,35)17-8-5-14(26)12-18(17)27/h3-5,8-13,15,35H,6-7H2,1-2H3
InChIKeyYLQZHABOAGMENW-UHFFFAOYSA-N
MW477.47 g/mol
LogP2.94
Rot. Bonds3

About 4-cyclopropyl-6-[7-(2,4-difluorophenyl)-7-hydroxy-5-oxopyrrolo[3,4-b]pyridin-6-yl]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one

4-cyclopropyl-6-[7-(2,4-difluorophenyl)-7-hydroxy-5-oxopyrrolo[3,4-b]pyridin-6-yl]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one (PubChem CID 139404674) has the molecular formula C25H21F2N5O3 and a molecular weight of 477.47 g/mol. Its IUPAC name is 4-cyclopropyl-6-[7-(2,4-difluorophenyl)-7-hydroxy-5-oxopyrrolo[3,4-b]pyridin-6-yl]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name4-cyclopropyl-6-[7-(2,4-difluorophenyl)-7-hydroxy-5-oxopyrrolo[3,4-b]pyridin-6-yl]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
PubChem CID139404674
Molecular FormulaC25H21F2N5O3
Molecular Weight477.47 g/mol
Exact Mass477.16
IUPAC Name4-cyclopropyl-6-[7-(2,4-difluorophenyl)-7-hydroxy-5-oxopyrrolo[3,4-b]pyridin-6-yl]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
SMILESCC1C(=O)N(C)c2ccc(N3C(=O)c4cccnc4C3(O)c3ccc(F)cc3F)nc2N1C1CC1
InChIInChI=1S/C25H21F2N5O3/c1-13-23(33)30(2)19-9-10-20(29-22(19)31(13)15-6-7-15)32-24(34)16-4-3-11-28-21(16)25(32,35)17-8-5-14(26)12-18(17)27/h3-5,8-13,15,35H,6-7H2,1-2H3
InChIKeyYLQZHABOAGMENW-UHFFFAOYSA-N
XLogP2.94
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[7-(2,4-difluorophenyl)-7-hydroxy-5-oxopyrrolo[3,4-b]pyridin-6-yl]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 4-cyclopropyl-6-[7-(2,4-difluorophenyl)-7-hydroxy-5-oxopyrrolo[3,4-b]pyridin-6-yl]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one (CID 139404674) is 4-cyclopropyl-6-[7-(2,4-difluorophenyl)-7-hydroxy-5-oxopyrrolo[3,4-b]pyridin-6-yl]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 4-cyclopropyl-6-[7-(2,4-difluorophenyl)-7-hydroxy-5-oxopyrrolo[3,4-b]pyridin-6-yl]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 4-cyclopropyl-6-[7-(2,4-difluorophenyl)-7-hydroxy-5-oxopyrrolo[3,4-b]pyridin-6-yl]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one is CC1C(=O)N(C)c2ccc(N3C(=O)c4cccnc4C3(O)c3ccc(F)cc3F)nc2N1C1CC1.
What is the InChIKey of 4-cyclopropyl-6-[7-(2,4-difluorophenyl)-7-hydroxy-5-oxopyrrolo[3,4-b]pyridin-6-yl]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one?
The InChIKey is YLQZHABOAGMENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N5O3/c1-13-23(33)30(2)19-9-10-20(29-22(19)31(13)15-6-7-15)32-24(34)16-4-3-11-28-21(16)25(32,35)17-8-5-14(26)12-18(17)27/h3-5,8-13,15,35H,6-7H2,1-2H3.
What are the key properties of 4-cyclopropyl-6-[7-(2,4-difluorophenyl)-7-hydroxy-5-oxopyrrolo[3,4-b]pyridin-6-yl]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one?
4-cyclopropyl-6-[7-(2,4-difluorophenyl)-7-hydroxy-5-oxopyrrolo[3,4-b]pyridin-6-yl]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one has a molecular weight of 477.47 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[7-(2,4-difluorophenyl)-7-hydroxy-5-oxopyrrolo[3,4-b]pyridin-6-yl]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 139404674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).