4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine

C21H19F2N7O — CID 157044396

IUPAC4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1cnc2c(-c3ccc(F)cc3F)nc(N3CCOC(c4cnn(C)c4)C3)nc2n1
InChIInChI=1S/C21H19F2N7O/c1-12-8-24-19-18(15-4-3-14(22)7-16(15)23)27-21(28-20(19)26-12)30-5-6-31-17(11-30)13-9-25-29(2)10-13/h3-4,7-10,17H,5-6,11H2,1-2H3
InChIKeyPLTITQQBSMKCJQ-UHFFFAOYSA-N
MW423.43 g/mol
LogP2.98
Rot. Bonds3

About 4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine

4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 157044396) has the molecular formula C21H19F2N7O and a molecular weight of 423.43 g/mol. Its IUPAC name is 4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID157044396
Molecular FormulaC21H19F2N7O
Molecular Weight423.43 g/mol
Exact Mass423.16
IUPAC Name4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1cnc2c(-c3ccc(F)cc3F)nc(N3CCOC(c4cnn(C)c4)C3)nc2n1
InChIInChI=1S/C21H19F2N7O/c1-12-8-24-19-18(15-4-3-14(22)7-16(15)23)27-21(28-20(19)26-12)30-5-6-31-17(11-30)13-9-25-29(2)10-13/h3-4,7-10,17H,5-6,11H2,1-2H3
InChIKeyPLTITQQBSMKCJQ-UHFFFAOYSA-N
XLogP2.98
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of 4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine (CID 157044396) is 4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for 4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for 4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine is Cc1cnc2c(-c3ccc(F)cc3F)nc(N3CCOC(c4cnn(C)c4)C3)nc2n1.
What is the InChIKey of 4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is PLTITQQBSMKCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N7O/c1-12-8-24-19-18(15-4-3-14(22)7-16(15)23)27-21(28-20(19)26-12)30-5-6-31-17(11-30)13-9-25-29(2)10-13/h3-4,7-10,17H,5-6,11H2,1-2H3.
What are the key properties of 4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 423.43 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 157044396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).