4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine

C23H23FN6O — CID 157044582

IUPAC4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1ccc(-c2nc(N3CCOC(c4cnn(C)c4)C3)nc3nc(C)ccc23)c(F)c1
InChIInChI=1S/C23H23FN6O/c1-14-4-6-17(19(24)10-14)21-18-7-5-15(2)26-22(18)28-23(27-21)30-8-9-31-20(13-30)16-11-25-29(3)12-16/h4-7,10-12,20H,8-9,13H2,1-3H3
InChIKeyBFEYUURRLWTRLR-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.76
Rot. Bonds3

About 4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine

4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 157044582) has the molecular formula C23H23FN6O and a molecular weight of 418.48 g/mol. Its IUPAC name is 4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID157044582
Molecular FormulaC23H23FN6O
Molecular Weight418.48 g/mol
Exact Mass418.19
IUPAC Name4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1ccc(-c2nc(N3CCOC(c4cnn(C)c4)C3)nc3nc(C)ccc23)c(F)c1
InChIInChI=1S/C23H23FN6O/c1-14-4-6-17(19(24)10-14)21-18-7-5-15(2)26-22(18)28-23(27-21)30-8-9-31-20(13-30)16-11-25-29(3)12-16/h4-7,10-12,20H,8-9,13H2,1-3H3
InChIKeyBFEYUURRLWTRLR-UHFFFAOYSA-N
XLogP3.76
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of 4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine (CID 157044582) is 4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for 4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for 4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine is Cc1ccc(-c2nc(N3CCOC(c4cnn(C)c4)C3)nc3nc(C)ccc23)c(F)c1.
What is the InChIKey of 4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is BFEYUURRLWTRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O/c1-14-4-6-17(19(24)10-14)21-18-7-5-15(2)26-22(18)28-23(27-21)30-8-9-31-20(13-30)16-11-25-29(3)12-16/h4-7,10-12,20H,8-9,13H2,1-3H3.
What are the key properties of 4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 418.48 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 157044582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).