(2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridin-2-yl]morpholine

C24H29F2N7O — CID 157045644

IUPAC(2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridin-2-yl]morpholine
SMILESCc1nc2nc(N3CCO[C@@H](c4cnn(C5CC5)c4)C3)nc(C3CCC(F)(F)CC3)c2nc1C
InChIInChI=1S/C24H29F2N7O/c1-14-15(2)29-22-21(28-14)20(16-5-7-24(25,26)8-6-16)30-23(31-22)32-9-10-34-19(13-32)17-11-27-33(12-17)18-3-4-18/h11-12,16,18-19H,3-10,13H2,1-2H3/t19-/m1/s1
InChIKeyPPNMDPNWKDDCLS-LJQANCHMSA-N
MW469.54 g/mol
LogP4.44
Rot. Bonds4

About (2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridin-2-yl]morpholine

(2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridin-2-yl]morpholine (PubChem CID 157045644) has the molecular formula C24H29F2N7O and a molecular weight of 469.54 g/mol. Its IUPAC name is (2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridin-2-yl]morpholine.

Molecular Properties

Compound Name(2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridin-2-yl]morpholine
PubChem CID157045644
Molecular FormulaC24H29F2N7O
Molecular Weight469.54 g/mol
Exact Mass469.24
IUPAC Name(2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridin-2-yl]morpholine
SMILESCc1nc2nc(N3CCO[C@@H](c4cnn(C5CC5)c4)C3)nc(C3CCC(F)(F)CC3)c2nc1C
InChIInChI=1S/C24H29F2N7O/c1-14-15(2)29-22-21(28-14)20(16-5-7-24(25,26)8-6-16)30-23(31-22)32-9-10-34-19(13-32)17-11-27-33(12-17)18-3-4-18/h11-12,16,18-19H,3-10,13H2,1-2H3/t19-/m1/s1
InChIKeyPPNMDPNWKDDCLS-LJQANCHMSA-N
XLogP4.44
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[3-(difluoromethyl)cyclobutyl]-6,7-dimethylpteridin-2-yl]morpholine
CID 157045360
4-[4-(3,3-difluorocyclobutyl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044597
2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridine
CID 166123326
(2R,6R)-4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 166121712
(2R)-4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-6,7-dimethylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)morpholine
CID 166122963
(2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine
CID 157045293
(2S)-4-[4-(4,4-difluorocyclohexyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044784
4-[4-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045234
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-6-methylmorpholine
CID 166121638
4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-[(2S,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine
CID 157045008
(2R)-4-[6,7-dimethyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 166834526
4-(4-cyclobutyl-7-methylpteridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 157045970

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridin-2-yl]morpholine?
The IUPAC name of (2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridin-2-yl]morpholine (CID 157045644) is (2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridin-2-yl]morpholine.
What is the SMILES notation for (2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridin-2-yl]morpholine?
The canonical SMILES for (2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridin-2-yl]morpholine is Cc1nc2nc(N3CCO[C@@H](c4cnn(C5CC5)c4)C3)nc(C3CCC(F)(F)CC3)c2nc1C.
What is the InChIKey of (2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridin-2-yl]morpholine?
The InChIKey is PPNMDPNWKDDCLS-LJQANCHMSA-N. The full InChI is InChI=1S/C24H29F2N7O/c1-14-15(2)29-22-21(28-14)20(16-5-7-24(25,26)8-6-16)30-23(31-22)32-9-10-34-19(13-32)17-11-27-33(12-17)18-3-4-18/h11-12,16,18-19H,3-10,13H2,1-2H3/t19-/m1/s1.
What are the key properties of (2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridin-2-yl]morpholine?
(2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridin-2-yl]morpholine has a molecular weight of 469.54 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridin-2-yl]morpholine is sourced from PubChem (CID 157045644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).