(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine

C25H29F3N6O — CID 157044521

IUPAC(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine
SMILESCc1ccc2c(C3CCC(C(F)(F)F)CC3)nc(N3CCO[C@H](c4cnn(C5CC5)c4)C3)nc2n1
InChIInChI=1S/C25H29F3N6O/c1-15-2-9-20-22(16-3-5-18(6-4-16)25(26,27)28)31-24(32-23(20)30-15)33-10-11-35-21(14-33)17-12-29-34(13-17)19-7-8-19/h2,9,12-13,16,18-19,21H,3-8,10-11,14H2,1H3/t16?,18?,21-/m0/s1
InChIKeyRAVGPOFKACTALI-IAYYMHMVSA-N
MW486.54 g/mol
LogP5.28
Rot. Bonds4

About (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine

(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine (PubChem CID 157044521) has the molecular formula C25H29F3N6O and a molecular weight of 486.54 g/mol. Its IUPAC name is (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine
PubChem CID157044521
Molecular FormulaC25H29F3N6O
Molecular Weight486.54 g/mol
Exact Mass486.24
IUPAC Name(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine
SMILESCc1ccc2c(C3CCC(C(F)(F)F)CC3)nc(N3CCO[C@H](c4cnn(C5CC5)c4)C3)nc2n1
InChIInChI=1S/C25H29F3N6O/c1-15-2-9-20-22(16-3-5-18(6-4-16)25(26,27)28)31-24(32-23(20)30-15)33-10-11-35-21(14-33)17-12-29-34(13-17)19-7-8-19/h2,9,12-13,16,18-19,21H,3-8,10-11,14H2,1H3/t16?,18?,21-/m0/s1
InChIKeyRAVGPOFKACTALI-IAYYMHMVSA-N
XLogP5.28
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.54
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine (CID 157044521) is (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine is Cc1ccc2c(C3CCC(C(F)(F)F)CC3)nc(N3CCO[C@H](c4cnn(C5CC5)c4)C3)nc2n1.
What is the InChIKey of (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is RAVGPOFKACTALI-IAYYMHMVSA-N. The full InChI is InChI=1S/C25H29F3N6O/c1-15-2-9-20-22(16-3-5-18(6-4-16)25(26,27)28)31-24(32-23(20)30-15)33-10-11-35-21(14-33)17-12-29-34(13-17)19-7-8-19/h2,9,12-13,16,18-19,21H,3-8,10-11,14H2,1H3/t16?,18?,21-/m0/s1.
What are the key properties of (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine?
(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 486.54 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 157044521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).