6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methylazetidin-1-yl)-2-pyridin-3-ylpyrido[3,4-d]pyrimidine

C25H23F2N5O3 — CID 146283441

IUPAC6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methylazetidin-1-yl)-2-pyridin-3-ylpyrido[3,4-d]pyrimidine
SMILESCOc1cc(OC)c(F)c(-c2cc3cnc(-c4cccnc4)nc3c(N3CC(C)(OC)C3)n2)c1F
InChIInChI=1S/C25H23F2N5O3/c1-25(35-4)12-32(13-25)24-22-15(11-29-23(31-22)14-6-5-7-28-10-14)8-16(30-24)19-20(26)17(33-2)9-18(34-3)21(19)27/h5-11H,12-13H2,1-4H3
InChIKeyDNDVHHASTZIGMF-UHFFFAOYSA-N
MW479.49 g/mol
LogP4.27
Rot. Bonds6

About 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methylazetidin-1-yl)-2-pyridin-3-ylpyrido[3,4-d]pyrimidine

6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methylazetidin-1-yl)-2-pyridin-3-ylpyrido[3,4-d]pyrimidine (PubChem CID 146283441) has the molecular formula C25H23F2N5O3 and a molecular weight of 479.49 g/mol. Its IUPAC name is 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methylazetidin-1-yl)-2-pyridin-3-ylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methylazetidin-1-yl)-2-pyridin-3-ylpyrido[3,4-d]pyrimidine
PubChem CID146283441
Molecular FormulaC25H23F2N5O3
Molecular Weight479.49 g/mol
Exact Mass479.18
IUPAC Name6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methylazetidin-1-yl)-2-pyridin-3-ylpyrido[3,4-d]pyrimidine
SMILESCOc1cc(OC)c(F)c(-c2cc3cnc(-c4cccnc4)nc3c(N3CC(C)(OC)C3)n2)c1F
InChIInChI=1S/C25H23F2N5O3/c1-25(35-4)12-32(13-25)24-22-15(11-29-23(31-22)14-6-5-7-28-10-14)8-16(30-24)19-20(26)17(33-2)9-18(34-3)21(19)27/h5-11H,12-13H2,1-4H3
InChIKeyDNDVHHASTZIGMF-UHFFFAOYSA-N
XLogP4.27
TPSA82.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methylazetidin-1-yl)-2-pyridin-3-ylpyrido[3,4-d]pyrimidine with MolForge

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Related Compounds

CID 447022
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CID 5330125
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CID 134611709
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CID 58546808
CID 58546808
CID 58546826
CID 58546826
CID 58547505
CID 58547505
CID 479418
CID 479418
CID 44435035
CID 44435035
CID 56665096
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CID 155556168
CID 155556168
CID 54675581
CID 54675581

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methylazetidin-1-yl)-2-pyridin-3-ylpyrido[3,4-d]pyrimidine?
The IUPAC name of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methylazetidin-1-yl)-2-pyridin-3-ylpyrido[3,4-d]pyrimidine (CID 146283441) is 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methylazetidin-1-yl)-2-pyridin-3-ylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methylazetidin-1-yl)-2-pyridin-3-ylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methylazetidin-1-yl)-2-pyridin-3-ylpyrido[3,4-d]pyrimidine is COc1cc(OC)c(F)c(-c2cc3cnc(-c4cccnc4)nc3c(N3CC(C)(OC)C3)n2)c1F.
What is the InChIKey of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methylazetidin-1-yl)-2-pyridin-3-ylpyrido[3,4-d]pyrimidine?
The InChIKey is DNDVHHASTZIGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O3/c1-25(35-4)12-32(13-25)24-22-15(11-29-23(31-22)14-6-5-7-28-10-14)8-16(30-24)19-20(26)17(33-2)9-18(34-3)21(19)27/h5-11H,12-13H2,1-4H3.
What are the key properties of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methylazetidin-1-yl)-2-pyridin-3-ylpyrido[3,4-d]pyrimidine?
6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methylazetidin-1-yl)-2-pyridin-3-ylpyrido[3,4-d]pyrimidine has a molecular weight of 479.49 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methylazetidin-1-yl)-2-pyridin-3-ylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 146283441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).