3-[[2,6-difluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one

C23H16F2N4O — CID 121275636

IUPAC3-[[2,6-difluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCn1cc2cccc(-c3cc(F)c(Cn4cnc5ncccc5c4=O)c(F)c3)c2c1
InChIInChI=1S/C23H16F2N4O/c1-28-10-14-4-2-5-16(18(14)11-28)15-8-20(24)19(21(25)9-15)12-29-13-27-22-17(23(29)30)6-3-7-26-22/h2-11,13H,12H2,1H3
InChIKeyJZHJIGWVVZCHIP-UHFFFAOYSA-N
MW402.40 g/mol
LogP4.28
Rot. Bonds3

About 3-[[2,6-difluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one

3-[[2,6-difluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 121275636) has the molecular formula C23H16F2N4O and a molecular weight of 402.40 g/mol. Its IUPAC name is 3-[[2,6-difluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[2,6-difluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID121275636
Molecular FormulaC23H16F2N4O
Molecular Weight402.40 g/mol
Exact Mass402.13
IUPAC Name3-[[2,6-difluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCn1cc2cccc(-c3cc(F)c(Cn4cnc5ncccc5c4=O)c(F)c3)c2c1
InChIInChI=1S/C23H16F2N4O/c1-28-10-14-4-2-5-16(18(14)11-28)15-8-20(24)19(21(25)9-15)12-29-13-27-22-17(23(29)30)6-3-7-26-22/h2-11,13H,12H2,1H3
InChIKeyJZHJIGWVVZCHIP-UHFFFAOYSA-N
XLogP4.28
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,6-difluoro-4-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 121275669
3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 121275695
3-[(2,6-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 39754045
3-[(2,6-difluoro-4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 144742049
3-[[4-(2,3-dihydro-1H-indazol-6-yl)-2-fluorophenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 123792141
3-[[3-[3-(dimethylamino)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 121275764
3-[[2,6-difluoro-4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one
CID 121275667
3-[(5-chloro-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 154754059
3-[(2-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 10825717
3-[[2,6-difluoro-4-(3-methyl-2,3-dihydro-1H-indazol-6-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 123764581
3-[[4-(3-methyl-2,3-dihydro-1H-indazol-6-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 123427419
6-[[2-chloro-6-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615886

Frequently Asked Questions

What is the IUPAC name of 3-[[2,6-difluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[2,6-difluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one (CID 121275636) is 3-[[2,6-difluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[2,6-difluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[2,6-difluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one is Cn1cc2cccc(-c3cc(F)c(Cn4cnc5ncccc5c4=O)c(F)c3)c2c1.
What is the InChIKey of 3-[[2,6-difluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is JZHJIGWVVZCHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N4O/c1-28-10-14-4-2-5-16(18(14)11-28)15-8-20(24)19(21(25)9-15)12-29-13-27-22-17(23(29)30)6-3-7-26-22/h2-11,13H,12H2,1H3.
What are the key properties of 3-[[2,6-difluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one?
3-[[2,6-difluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 402.40 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,6-difluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 121275636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).