2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine

C20H22F3N7O — CID 157044584

IUPAC2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine
SMILESCc1cnc2c(C3CC(C(F)(F)F)C3)nc(N3CCOC(c4cnn(C)c4)C3)nc2n1
InChIInChI=1S/C20H22F3N7O/c1-11-7-24-17-16(12-5-14(6-12)20(21,22)23)27-19(28-18(17)26-11)30-3-4-31-15(10-30)13-8-25-29(2)9-13/h7-9,12,14-15H,3-6,10H2,1-2H3
InChIKeyWRLNSRVHTOBJKE-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.10
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine

2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine (PubChem CID 157044584) has the molecular formula C20H22F3N7O and a molecular weight of 433.44 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine
PubChem CID157044584
Molecular FormulaC20H22F3N7O
Molecular Weight433.44 g/mol
Exact Mass433.18
IUPAC Name2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine
SMILESCc1cnc2c(C3CC(C(F)(F)F)C3)nc(N3CCOC(c4cnn(C)c4)C3)nc2n1
InChIInChI=1S/C20H22F3N7O/c1-11-7-24-17-16(12-5-14(6-12)20(21,22)23)27-19(28-18(17)26-11)30-3-4-31-15(10-30)13-8-25-29(2)9-13/h7-9,12,14-15H,3-6,10H2,1-2H3
InChIKeyWRLNSRVHTOBJKE-UHFFFAOYSA-N
XLogP3.10
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine (CID 157044584) is 2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine is Cc1cnc2c(C3CC(C(F)(F)F)C3)nc(N3CCOC(c4cnn(C)c4)C3)nc2n1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine?
The InChIKey is WRLNSRVHTOBJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N7O/c1-11-7-24-17-16(12-5-14(6-12)20(21,22)23)27-19(28-18(17)26-11)30-3-4-31-15(10-30)13-8-25-29(2)9-13/h7-9,12,14-15H,3-6,10H2,1-2H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine?
2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine has a molecular weight of 433.44 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine is sourced from PubChem (CID 157044584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).