(2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]morpholine

C24H22F2N6O — CID 157044506

IUPAC(2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]morpholine
SMILESCc1ccc2c(-c3ccc(F)cc3F)nc(N3CCO[C@@H](c4cnn(C5CC5)c4)C3)nc2n1
InChIInChI=1S/C24H22F2N6O/c1-14-2-6-19-22(18-7-3-16(25)10-20(18)26)29-24(30-23(19)28-14)31-8-9-33-21(13-31)15-11-27-32(12-15)17-4-5-17/h2-3,6-7,10-12,17,21H,4-5,8-9,13H2,1H3/t21-/m1/s1
InChIKeyFJOJELYSCCUUIG-OAQYLSRUSA-N
MW448.48 g/mol
LogP4.39
Rot. Bonds4

About (2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]morpholine

(2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]morpholine (PubChem CID 157044506) has the molecular formula C24H22F2N6O and a molecular weight of 448.48 g/mol. Its IUPAC name is (2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name(2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]morpholine
PubChem CID157044506
Molecular FormulaC24H22F2N6O
Molecular Weight448.48 g/mol
Exact Mass448.18
IUPAC Name(2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]morpholine
SMILESCc1ccc2c(-c3ccc(F)cc3F)nc(N3CCO[C@@H](c4cnn(C5CC5)c4)C3)nc2n1
InChIInChI=1S/C24H22F2N6O/c1-14-2-6-19-22(18-7-3-16(25)10-20(18)26)29-24(30-23(19)28-14)31-8-9-33-21(13-31)15-11-27-32(12-15)17-4-5-17/h2-3,6-7,10-12,17,21H,4-5,8-9,13H2,1H3/t21-/m1/s1
InChIKeyFJOJELYSCCUUIG-OAQYLSRUSA-N
XLogP4.39
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of (2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]morpholine (CID 157044506) is (2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for (2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for (2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]morpholine is Cc1ccc2c(-c3ccc(F)cc3F)nc(N3CCO[C@@H](c4cnn(C5CC5)c4)C3)nc2n1.
What is the InChIKey of (2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is FJOJELYSCCUUIG-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H22F2N6O/c1-14-2-6-19-22(18-7-3-16(25)10-20(18)26)29-24(30-23(19)28-14)31-8-9-33-21(13-31)15-11-27-32(12-15)17-4-5-17/h2-3,6-7,10-12,17,21H,4-5,8-9,13H2,1H3/t21-/m1/s1.
What are the key properties of (2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]morpholine?
(2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 448.48 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 157044506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).