(7R)-8-cyclopropyl-2-(5-fluoro-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-5,7-dimethyl-7H-pteridin-6-one

C24H21FN6O2 — CID 155385071

IUPAC(7R)-8-cyclopropyl-2-(5-fluoro-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-5,7-dimethyl-7H-pteridin-6-one
SMILESC[C@@H]1C(=O)N(C)c2cnc(N3C(=O)c4cc(F)ccc4C3c3cccnc3)nc2N1C1CC1
InChIInChI=1S/C24H21FN6O2/c1-13-22(32)29(2)19-12-27-24(28-21(19)30(13)16-6-7-16)31-20(14-4-3-9-26-11-14)17-8-5-15(25)10-18(17)23(31)33/h3-5,8-13,16,20H,6-7H2,1-2H3/t13-,20?/m1/s1
InChIKeyVATSWEBNRQANEV-CRIUFTBBSA-N
MW444.47 g/mol
LogP3.09
Rot. Bonds3

About (7R)-8-cyclopropyl-2-(5-fluoro-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-5,7-dimethyl-7H-pteridin-6-one

(7R)-8-cyclopropyl-2-(5-fluoro-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-5,7-dimethyl-7H-pteridin-6-one (PubChem CID 155385071) has the molecular formula C24H21FN6O2 and a molecular weight of 444.47 g/mol. Its IUPAC name is (7R)-8-cyclopropyl-2-(5-fluoro-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-5,7-dimethyl-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-8-cyclopropyl-2-(5-fluoro-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-5,7-dimethyl-7H-pteridin-6-one
PubChem CID155385071
Molecular FormulaC24H21FN6O2
Molecular Weight444.47 g/mol
Exact Mass444.17
IUPAC Name(7R)-8-cyclopropyl-2-(5-fluoro-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-5,7-dimethyl-7H-pteridin-6-one
SMILESC[C@@H]1C(=O)N(C)c2cnc(N3C(=O)c4cc(F)ccc4C3c3cccnc3)nc2N1C1CC1
InChIInChI=1S/C24H21FN6O2/c1-13-22(32)29(2)19-12-27-24(28-21(19)30(13)16-6-7-16)31-20(14-4-3-9-26-11-14)17-8-5-15(25)10-18(17)23(31)33/h3-5,8-13,16,20H,6-7H2,1-2H3/t13-,20?/m1/s1
InChIKeyVATSWEBNRQANEV-CRIUFTBBSA-N
XLogP3.09
TPSA82.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7R)-8-cyclopropyl-2-(5-fluoro-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-5,7-dimethyl-7H-pteridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-cyclopropyl-5,7-dimethyl-2-(3-oxo-1-phenyl-1H-isoindol-2-yl)-7H-pteridin-6-one;methane
CID 158797544
8-cyclopropyl-5,7-dimethyl-2-[3-oxo-1-[4-(trifluoromethyl)phenyl]-1H-isoindol-2-yl]-7H-pteridin-6-one;methane
CID 159374229
4-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one
CID 155657861
4-cyclopropyl-1-(fluoromethyl)-3-methyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one
CID 139404681
4-cyclopropyl-1,3-dimethyl-6-(4-methylsulfonyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one
CID 155657858
(3R)-1,3,4-trimethyl-6-(4-methylsulfanyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one
CID 139404589
4-cyclopropyl-6-[1-(4-fluorophenyl)-3-oxo-6,7-dihydro-1H-isoindol-2-yl]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
CID 155394842
1,3-dimethyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one
CID 155385073
3-[(7R)-2-(3,5-difluoro-4-hydroxyanilino)-7-methyl-8-(4-methylcyclohexyl)-6-oxo-7H-pteridin-5-yl]benzonitrile
CID 121360955
1-(2,5-difluorophenyl)-4-hydroxy-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108630627
(3R)-1,3-dimethyl-6-(4-methylsulfanyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one
CID 155394911
(3R)-6-chloro-4-cyclopentyl-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
CID 121412212

Frequently Asked Questions

What is the IUPAC name of (7R)-8-cyclopropyl-2-(5-fluoro-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-5,7-dimethyl-7H-pteridin-6-one?
The IUPAC name of (7R)-8-cyclopropyl-2-(5-fluoro-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-5,7-dimethyl-7H-pteridin-6-one (CID 155385071) is (7R)-8-cyclopropyl-2-(5-fluoro-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-5,7-dimethyl-7H-pteridin-6-one.
What is the SMILES notation for (7R)-8-cyclopropyl-2-(5-fluoro-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-5,7-dimethyl-7H-pteridin-6-one?
The canonical SMILES for (7R)-8-cyclopropyl-2-(5-fluoro-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-5,7-dimethyl-7H-pteridin-6-one is C[C@@H]1C(=O)N(C)c2cnc(N3C(=O)c4cc(F)ccc4C3c3cccnc3)nc2N1C1CC1.
What is the InChIKey of (7R)-8-cyclopropyl-2-(5-fluoro-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-5,7-dimethyl-7H-pteridin-6-one?
The InChIKey is VATSWEBNRQANEV-CRIUFTBBSA-N. The full InChI is InChI=1S/C24H21FN6O2/c1-13-22(32)29(2)19-12-27-24(28-21(19)30(13)16-6-7-16)31-20(14-4-3-9-26-11-14)17-8-5-15(25)10-18(17)23(31)33/h3-5,8-13,16,20H,6-7H2,1-2H3/t13-,20?/m1/s1.
What are the key properties of (7R)-8-cyclopropyl-2-(5-fluoro-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-5,7-dimethyl-7H-pteridin-6-one?
(7R)-8-cyclopropyl-2-(5-fluoro-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-5,7-dimethyl-7H-pteridin-6-one has a molecular weight of 444.47 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-8-cyclopropyl-2-(5-fluoro-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-5,7-dimethyl-7H-pteridin-6-one is sourced from PubChem (CID 155385071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).