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

C43H28F4N10O2 — CID 144742049

IUPAC3-[(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
SMILESCn1cc2c(-c3cc(F)c(Cn4cnc5cccnc5c4=O)c(F)c3)cccc2n1.O=c1c2ccncc2ncn1Cc1c(F)cc(-c2cnc3ccccn23)cc1F
InChIInChI=1S/C22H15F2N5O.C21H13F2N5O/c1-28-10-15-14(4-2-5-19(15)27-28)13-8-17(23)16(18(24)9-13)11-29-12-26-20-6-3-7-25-21(20)22(29)30;22-16-7-13(19-10-25-20-3-1-2-6-28(19)20)8-17(23)15(16)11-27-12-26-18-9-24-5-4-14(18)21(27)29/h2-10,12H,11H2,1H3;1-10,12H,11H2
InChIKeyJXZBQWIOWYMNQP-UHFFFAOYSA-N
MW792.76 g/mol
LogP7.10
Rot. Bonds6

About 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

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 (PubChem CID 144742049) has the molecular formula C43H28F4N10O2 and a molecular weight of 792.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[(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
PubChem CID144742049
Molecular FormulaC43H28F4N10O2
Molecular Weight792.76 g/mol
Exact Mass792.23
IUPAC Name3-[(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
SMILESCn1cc2c(-c3cc(F)c(Cn4cnc5cccnc5c4=O)c(F)c3)cccc2n1.O=c1c2ccncc2ncn1Cc1c(F)cc(-c2cnc3ccccn23)cc1F
InChIInChI=1S/C22H15F2N5O.C21H13F2N5O/c1-28-10-15-14(4-2-5-19(15)27-28)13-8-17(23)16(18(24)9-13)11-29-12-26-20-6-3-7-25-21(20)22(29)30;22-16-7-13(19-10-25-20-3-1-2-6-28(19)20)8-17(23)15(16)11-27-12-26-18-9-24-5-4-14(18)21(27)29/h2-10,12H,11H2,1H3;1-10,12H,11H2
InChIKeyJXZBQWIOWYMNQP-UHFFFAOYSA-N
XLogP7.10
TPSA130.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500792.76
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

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-[[2,6-difluoro-4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one
CID 121275667
1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]quinoxalin-2-one
CID 86298474
3-[(2,6-difluoro-4-isoquinolin-6-ylphenyl)methyl]-7-[6-[3,5-difluoro-4-[(4-oxopyrido[3,2-d]pyrimidin-3-yl)methyl]phenyl]quinolin-3-yl]pyrido[3,2-d]pyrimidin-4-one
CID 123940459
3-[[2,6-difluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 121275636
6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-5-oxopyrido[3,4-b]pyrazine-8-carboxamide
CID 162772274
3-[[2,6-difluoro-4-(2-methoxy-4-pyridinyl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one;3-[[4-[2-(dimethylamino)-4-pyridinyl]-2,6-difluorophenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 144742017
6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-oxopyrido[4,3-d]pyrimidine-8-carboxamide
CID 162772213
3-[(2,6-difluoro-4-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 121275669
6-[[2-chloro-6-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615886
6-[[2-cyclopropyl-6-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615729
3-[[4-(3a,7a-dihydro-3H-inden-5-yl)-2,6-difluorophenyl]methyl]pyrido[3,4-d]pyrimidin-4-one
CID 161052863

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1cc2c(-c3cc(F)c(Cn4cnc5cccnc5c4=O)c(F)c3)cccc2n1.O=c1c2ccncc2ncn1Cc1c(F)cc(-c2cnc3ccccn23)cc1F.
What is the InChIKey of 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?
The InChIKey is JXZBQWIOWYMNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N5O.C21H13F2N5O/c1-28-10-15-14(4-2-5-19(15)27-28)13-8-17(23)16(18(24)9-13)11-29-12-26-20-6-3-7-25-21(20)22(29)30;22-16-7-13(19-10-25-20-3-1-2-6-28(19)20)8-17(23)15(16)11-27-12-26-18-9-24-5-4-14(18)21(27)29/h2-10,12H,11H2,1H3;1-10,12H,11H2.
What are the key properties of 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?
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 has a molecular weight of 792.76 g/mol, XLogP of 7.10, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144742049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).