4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-methylpyrazole

C23H30F2N6O — CID 157044402

IUPAC4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-methylpyrazole
SMILESCc1nc2nc(C3CCOCC3)nc(C3CCC(F)(F)CC3)c2nc1C.Cn1cccn1
InChIInChI=1S/C19H24F2N4O.C4H6N2/c1-11-12(2)23-18-16(22-11)15(13-3-7-19(20,21)8-4-13)24-17(25-18)14-5-9-26-10-6-14;1-6-4-2-3-5-6/h13-14H,3-10H2,1-2H3;2-4H,1H3
InChIKeyDBSYAGNFQKABPH-UHFFFAOYSA-N
MW444.53 g/mol
LogP4.64
Rot. Bonds2

About 4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-methylpyrazole

4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-methylpyrazole (PubChem CID 157044402) has the molecular formula C23H30F2N6O and a molecular weight of 444.53 g/mol. Its IUPAC name is 4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-methylpyrazole.

Molecular Properties

Compound Name4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-methylpyrazole
PubChem CID157044402
Molecular FormulaC23H30F2N6O
Molecular Weight444.53 g/mol
Exact Mass444.24
IUPAC Name4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-methylpyrazole
SMILESCc1nc2nc(C3CCOCC3)nc(C3CCC(F)(F)CC3)c2nc1C.Cn1cccn1
InChIInChI=1S/C19H24F2N4O.C4H6N2/c1-11-12(2)23-18-16(22-11)15(13-3-7-19(20,21)8-4-13)24-17(25-18)14-5-9-26-10-6-14;1-6-4-2-3-5-6/h13-14H,3-10H2,1-2H3;2-4H,1H3
InChIKeyDBSYAGNFQKABPH-UHFFFAOYSA-N
XLogP4.64
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpteridine
CID 157044406
(2R)-4-[6,7-dimethyl-4-[4-(trifluoromethyl)cyclohexyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044469
(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridin-2-yl]morpholine
CID 157044563
2-(1-Methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine
CID 157044584
6,7-dimethyl-2-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]-4-[3-(trifluoromethyl)cyclobutyl]pteridine
CID 157044614
6,7-Dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridine;1-methyl-4-(oxan-2-yl)pyrazole
CID 157044684
2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpteridine
CID 157044704
4-(2,4-difluorophenyl)-6,7-dimethyl-2-[(2S,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine
CID 157044753
2-[(2S,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridine
CID 157044785
4-[6,7-dimethyl-4-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]pteridin-2-yl]morpholine;1-methylpyrazole
CID 157044787
6,7-Dimethyl-2-[2-(1-methylpyrazol-4-yl)oxan-4-yl]-4-[3-(trifluoromethyl)cyclobutyl]pteridine
CID 157044801
(2S)-2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine
CID 157044840

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-methylpyrazole?
The IUPAC name of 4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-methylpyrazole (CID 157044402) is 4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-methylpyrazole.
What is the SMILES notation for 4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-methylpyrazole?
The canonical SMILES for 4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-methylpyrazole is Cc1nc2nc(C3CCOCC3)nc(C3CCC(F)(F)CC3)c2nc1C.Cn1cccn1.
What is the InChIKey of 4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-methylpyrazole?
The InChIKey is DBSYAGNFQKABPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O.C4H6N2/c1-11-12(2)23-18-16(22-11)15(13-3-7-19(20,21)8-4-13)24-17(25-18)14-5-9-26-10-6-14;1-6-4-2-3-5-6/h13-14H,3-10H2,1-2H3;2-4H,1H3.
What are the key properties of 4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-methylpyrazole?
4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-methylpyrazole has a molecular weight of 444.53 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-methylpyrazole is sourced from PubChem (CID 157044402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).