4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;2-methoxypyridine;oxane

C25H27ClFN5O2 — CID 157045780

IUPAC4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;2-methoxypyridine;oxane
SMILESC1CCOCC1.COc1ccccn1.Cc1nc2ncnc(-c3ccc(Cl)cc3F)c2nc1C
InChIInChI=1S/C14H10ClFN4.C6H7NO.C5H10O/c1-7-8(2)20-14-13(19-7)12(17-6-18-14)10-4-3-9(15)5-11(10)16;1-8-6-4-2-3-5-7-6;1-2-4-6-5-3-1/h3-6H,1-2H3;2-5H,1H3;1-5H2
InChIKeyYASPFGPQQYTLOG-UHFFFAOYSA-N
MW483.98 g/mol
LogP5.77
Rot. Bonds2

About 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;2-methoxypyridine;oxane

4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;2-methoxypyridine;oxane (PubChem CID 157045780) has the molecular formula C25H27ClFN5O2 and a molecular weight of 483.98 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;2-methoxypyridine;oxane.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;2-methoxypyridine;oxane
PubChem CID157045780
Molecular FormulaC25H27ClFN5O2
Molecular Weight483.98 g/mol
Exact Mass483.18
IUPAC Name4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;2-methoxypyridine;oxane
SMILESC1CCOCC1.COc1ccccn1.Cc1nc2ncnc(-c3ccc(Cl)cc3F)c2nc1C
InChIInChI=1S/C14H10ClFN4.C6H7NO.C5H10O/c1-7-8(2)20-14-13(19-7)12(17-6-18-14)10-4-3-9(15)5-11(10)16;1-8-6-4-2-3-5-7-6;1-2-4-6-5-3-1/h3-6H,1-2H3;2-5H,1H3;1-5H2
InChIKeyYASPFGPQQYTLOG-UHFFFAOYSA-N
XLogP5.77
TPSA82.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.98
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]-12-methoxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 10715484
4-Quinazolinamine, N-(6-methoxy-3-pyridinyl)-N,2-dimethyl-
CID 11529244
3-(4-Chloro-3-pyridinyl)-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 56648683
3-(3-Chloro-4-pyridinyl)-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 56648763
N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(2-methoxyethoxy)-2-methylpyrido[3,4-d]pyrimidin-4-amine
CID 146197393
N-benzyl-4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyridin-2-amine
CID 155521057
4-[4-[4,6-Bis(4-methoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]-7-chloroquinoline
CID 164628255
2-[[4-[6-[(4-Chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-methylimidazo[4,5-c]pyridine
CID 168295496
6-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine
CID 146197361
N-[(1R)-1-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine
CID 146197457
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(6-methoxypyridin-3-yl)quinolin-2-amine
CID 49785520
US11420970, Example 181
CID 156073161

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;2-methoxypyridine;oxane?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;2-methoxypyridine;oxane (CID 157045780) is 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;2-methoxypyridine;oxane.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;2-methoxypyridine;oxane?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;2-methoxypyridine;oxane is C1CCOCC1.COc1ccccn1.Cc1nc2ncnc(-c3ccc(Cl)cc3F)c2nc1C.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;2-methoxypyridine;oxane?
The InChIKey is YASPFGPQQYTLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4.C6H7NO.C5H10O/c1-7-8(2)20-14-13(19-7)12(17-6-18-14)10-4-3-9(15)5-11(10)16;1-8-6-4-2-3-5-7-6;1-2-4-6-5-3-1/h3-6H,1-2H3;2-5H,1H3;1-5H2.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;2-methoxypyridine;oxane?
4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;2-methoxypyridine;oxane has a molecular weight of 483.98 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;2-methoxypyridine;oxane is sourced from PubChem (CID 157045780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).