1-cyclopropylpyrazole;4-(3,4-difluorocyclopentyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine

C24H30F2N6O — CID 166121190

IUPAC1-cyclopropylpyrazole;4-(3,4-difluorocyclopentyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine
SMILESCc1nc2nc(C3CCOCC3)nc(C3CC(F)C(F)C3)c2nc1C.c1cnn(C2CC2)c1
InChIInChI=1S/C18H22F2N4O.C6H8N2/c1-9-10(2)22-18-16(21-9)15(12-7-13(19)14(20)8-12)23-17(24-18)11-3-5-25-6-4-11;1-4-7-8(5-1)6-2-3-6/h11-14H,3-8H2,1-2H3;1,4-6H,2-3H2
InChIKeyWGGOKMMEFQSTCL-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.70
Rot. Bonds3

About 1-cyclopropylpyrazole;4-(3,4-difluorocyclopentyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine

1-cyclopropylpyrazole;4-(3,4-difluorocyclopentyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine (PubChem CID 166121190) has the molecular formula C24H30F2N6O and a molecular weight of 456.54 g/mol. Its IUPAC name is 1-cyclopropylpyrazole;4-(3,4-difluorocyclopentyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine.

Molecular Properties

Compound Name1-cyclopropylpyrazole;4-(3,4-difluorocyclopentyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine
PubChem CID166121190
Molecular FormulaC24H30F2N6O
Molecular Weight456.54 g/mol
Exact Mass456.24
IUPAC Name1-cyclopropylpyrazole;4-(3,4-difluorocyclopentyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine
SMILESCc1nc2nc(C3CCOCC3)nc(C3CC(F)C(F)C3)c2nc1C.c1cnn(C2CC2)c1
InChIInChI=1S/C18H22F2N4O.C6H8N2/c1-9-10(2)22-18-16(21-9)15(12-7-13(19)14(20)8-12)23-17(24-18)11-3-5-25-6-4-11;1-4-7-8(5-1)6-2-3-6/h11-14H,3-8H2,1-2H3;1,4-6H,2-3H2
InChIKeyWGGOKMMEFQSTCL-UHFFFAOYSA-N
XLogP4.70
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)morpholine;1-cyclopropylpyrazole;fluoroform
CID 157044934
1-cyclopropylpyrazole;6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridine;oxane
CID 166122541
1-cyclopropylpyrazole;4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-methylmorpholine
CID 166121741
2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridine
CID 166123326
2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pteridine
CID 166123081
CID 166121814
CID 166121814
2-[(2R,4S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridine
CID 166122466
1-(1-bicyclo[1.1.1]pentanyl)pyrazole;4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine
CID 166123038
4-(5-cyclobutyl-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl)morpholine;1-cyclopropylpyrazole;fluoroform
CID 157045478
4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-(2-fluoroethyl)pyrazole
CID 166122881
1-cyclopropylpyrazole;7-methyl-2-(oxan-4-yl)-4-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)pyrido[2,3-d]pyrimidine
CID 157045532
4-(2,3-dihydro-1H-inden-5-yl)-6,7-dimethyl-2-(oxan-4-yl)pteridine
CID 166122684

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylpyrazole;4-(3,4-difluorocyclopentyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine?
The IUPAC name of 1-cyclopropylpyrazole;4-(3,4-difluorocyclopentyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine (CID 166121190) is 1-cyclopropylpyrazole;4-(3,4-difluorocyclopentyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine.
What is the SMILES notation for 1-cyclopropylpyrazole;4-(3,4-difluorocyclopentyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine?
The canonical SMILES for 1-cyclopropylpyrazole;4-(3,4-difluorocyclopentyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine is Cc1nc2nc(C3CCOCC3)nc(C3CC(F)C(F)C3)c2nc1C.c1cnn(C2CC2)c1.
What is the InChIKey of 1-cyclopropylpyrazole;4-(3,4-difluorocyclopentyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine?
The InChIKey is WGGOKMMEFQSTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O.C6H8N2/c1-9-10(2)22-18-16(21-9)15(12-7-13(19)14(20)8-12)23-17(24-18)11-3-5-25-6-4-11;1-4-7-8(5-1)6-2-3-6/h11-14H,3-8H2,1-2H3;1,4-6H,2-3H2.
What are the key properties of 1-cyclopropylpyrazole;4-(3,4-difluorocyclopentyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine?
1-cyclopropylpyrazole;4-(3,4-difluorocyclopentyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine has a molecular weight of 456.54 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylpyrazole;4-(3,4-difluorocyclopentyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine is sourced from PubChem (CID 166121190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).