7-(dimethylamino)-1-[(1S,3R)-3-(dimethylamino)cyclohexyl]-3-(2-fluoro-6-methylphenyl)-4H-pyrido[4,3-d]pyrimidin-2-one

C24H32FN5O — CID 166590544

IUPAC7-(dimethylamino)-1-[(1S,3R)-3-(dimethylamino)cyclohexyl]-3-(2-fluoro-6-methylphenyl)-4H-pyrido[4,3-d]pyrimidin-2-one
SMILESCc1cccc(F)c1N1Cc2cnc(N(C)C)cc2N([C@H]2CCC[C@@H](N(C)C)C2)C1=O
InChIInChI=1S/C24H32FN5O/c1-16-8-6-11-20(25)23(16)29-15-17-14-26-22(28(4)5)13-21(17)30(24(29)31)19-10-7-9-18(12-19)27(2)3/h6,8,11,13-14,18-19H,7,9-10,12,15H2,1-5H3/t18-,19+/m1/s1
InChIKeyYQRDFTRBHGJVID-MOPGFXCFSA-N
MW425.55 g/mol
LogP4.41
Rot. Bonds4

About 7-(dimethylamino)-1-[(1S,3R)-3-(dimethylamino)cyclohexyl]-3-(2-fluoro-6-methylphenyl)-4H-pyrido[4,3-d]pyrimidin-2-one

7-(dimethylamino)-1-[(1S,3R)-3-(dimethylamino)cyclohexyl]-3-(2-fluoro-6-methylphenyl)-4H-pyrido[4,3-d]pyrimidin-2-one (PubChem CID 166590544) has the molecular formula C24H32FN5O and a molecular weight of 425.55 g/mol. Its IUPAC name is 7-(dimethylamino)-1-[(1S,3R)-3-(dimethylamino)cyclohexyl]-3-(2-fluoro-6-methylphenyl)-4H-pyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-(dimethylamino)-1-[(1S,3R)-3-(dimethylamino)cyclohexyl]-3-(2-fluoro-6-methylphenyl)-4H-pyrido[4,3-d]pyrimidin-2-one
PubChem CID166590544
Molecular FormulaC24H32FN5O
Molecular Weight425.55 g/mol
Exact Mass425.26
IUPAC Name7-(dimethylamino)-1-[(1S,3R)-3-(dimethylamino)cyclohexyl]-3-(2-fluoro-6-methylphenyl)-4H-pyrido[4,3-d]pyrimidin-2-one
SMILESCc1cccc(F)c1N1Cc2cnc(N(C)C)cc2N([C@H]2CCC[C@@H](N(C)C)C2)C1=O
InChIInChI=1S/C24H32FN5O/c1-16-8-6-11-20(25)23(16)29-15-17-14-26-22(28(4)5)13-21(17)30(24(29)31)19-10-7-9-18(12-19)27(2)3/h6,8,11,13-14,18-19H,7,9-10,12,15H2,1-5H3/t18-,19+/m1/s1
InChIKeyYQRDFTRBHGJVID-MOPGFXCFSA-N
XLogP4.41
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-1-[(1S,3R)-3-(dimethylamino)cyclohexyl]-3-(2-fluoro-6-methylphenyl)-4H-pyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 7-(dimethylamino)-1-[(1S,3R)-3-(dimethylamino)cyclohexyl]-3-(2-fluoro-6-methylphenyl)-4H-pyrido[4,3-d]pyrimidin-2-one (CID 166590544) is 7-(dimethylamino)-1-[(1S,3R)-3-(dimethylamino)cyclohexyl]-3-(2-fluoro-6-methylphenyl)-4H-pyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 7-(dimethylamino)-1-[(1S,3R)-3-(dimethylamino)cyclohexyl]-3-(2-fluoro-6-methylphenyl)-4H-pyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 7-(dimethylamino)-1-[(1S,3R)-3-(dimethylamino)cyclohexyl]-3-(2-fluoro-6-methylphenyl)-4H-pyrido[4,3-d]pyrimidin-2-one is Cc1cccc(F)c1N1Cc2cnc(N(C)C)cc2N([C@H]2CCC[C@@H](N(C)C)C2)C1=O.
What is the InChIKey of 7-(dimethylamino)-1-[(1S,3R)-3-(dimethylamino)cyclohexyl]-3-(2-fluoro-6-methylphenyl)-4H-pyrido[4,3-d]pyrimidin-2-one?
The InChIKey is YQRDFTRBHGJVID-MOPGFXCFSA-N. The full InChI is InChI=1S/C24H32FN5O/c1-16-8-6-11-20(25)23(16)29-15-17-14-26-22(28(4)5)13-21(17)30(24(29)31)19-10-7-9-18(12-19)27(2)3/h6,8,11,13-14,18-19H,7,9-10,12,15H2,1-5H3/t18-,19+/m1/s1.
What are the key properties of 7-(dimethylamino)-1-[(1S,3R)-3-(dimethylamino)cyclohexyl]-3-(2-fluoro-6-methylphenyl)-4H-pyrido[4,3-d]pyrimidin-2-one?
7-(dimethylamino)-1-[(1S,3R)-3-(dimethylamino)cyclohexyl]-3-(2-fluoro-6-methylphenyl)-4H-pyrido[4,3-d]pyrimidin-2-one has a molecular weight of 425.55 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-1-[(1S,3R)-3-(dimethylamino)cyclohexyl]-3-(2-fluoro-6-methylphenyl)-4H-pyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 166590544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).