(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[4-(difluoromethyl)cyclohexyl]-6,7-dimethyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine

C27H38F2N6O — CID 166121703

IUPAC(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[4-(difluoromethyl)cyclohexyl]-6,7-dimethyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine
SMILESCC1Cc2c(nc(N3C[C@@H](C)O[C@@H](c4cnn(C5CC5)c4)C3)nc2C2CCC(C(F)F)CC2)NC1C
InChIInChI=1S/C27H38F2N6O/c1-15-10-22-24(18-4-6-19(7-5-18)25(28)29)32-27(33-26(22)31-17(15)3)34-12-16(2)36-23(14-34)20-11-30-35(13-20)21-8-9-21/h11,13,15-19,21,23,25H,4-10,12,14H2,1-3H3,(H,31,32,33)/t15?,16-,17?,18?,19?,23-/m1/s1
InChIKeyDBJTUTBECOOGSA-MRRAVLCJSA-N
MW500.64 g/mol
LogP5.51
Rot. Bonds5

About (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[4-(difluoromethyl)cyclohexyl]-6,7-dimethyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine

(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[4-(difluoromethyl)cyclohexyl]-6,7-dimethyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine (PubChem CID 166121703) has the molecular formula C27H38F2N6O and a molecular weight of 500.64 g/mol. Its IUPAC name is (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[4-(difluoromethyl)cyclohexyl]-6,7-dimethyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine.

Molecular Properties

Compound Name(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[4-(difluoromethyl)cyclohexyl]-6,7-dimethyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine
PubChem CID166121703
Molecular FormulaC27H38F2N6O
Molecular Weight500.64 g/mol
Exact Mass500.31
IUPAC Name(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[4-(difluoromethyl)cyclohexyl]-6,7-dimethyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine
SMILESCC1Cc2c(nc(N3C[C@@H](C)O[C@@H](c4cnn(C5CC5)c4)C3)nc2C2CCC(C(F)F)CC2)NC1C
InChIInChI=1S/C27H38F2N6O/c1-15-10-22-24(18-4-6-19(7-5-18)25(28)29)32-27(33-26(22)31-17(15)3)34-12-16(2)36-23(14-34)20-11-30-35(13-20)21-8-9-21/h11,13,15-19,21,23,25H,4-10,12,14H2,1-3H3,(H,31,32,33)/t15?,16-,17?,18?,19?,23-/m1/s1
InChIKeyDBJTUTBECOOGSA-MRRAVLCJSA-N
XLogP5.51
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.64
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[4-(difluoromethyl)cyclohexyl]-6,7-dimethyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[4-(difluoromethyl)cyclohexyl]-6,7-dimethyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine?
The IUPAC name of (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[4-(difluoromethyl)cyclohexyl]-6,7-dimethyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine (CID 166121703) is (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[4-(difluoromethyl)cyclohexyl]-6,7-dimethyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine.
What is the SMILES notation for (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[4-(difluoromethyl)cyclohexyl]-6,7-dimethyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine?
The canonical SMILES for (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[4-(difluoromethyl)cyclohexyl]-6,7-dimethyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine is CC1Cc2c(nc(N3C[C@@H](C)O[C@@H](c4cnn(C5CC5)c4)C3)nc2C2CCC(C(F)F)CC2)NC1C.
What is the InChIKey of (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[4-(difluoromethyl)cyclohexyl]-6,7-dimethyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine?
The InChIKey is DBJTUTBECOOGSA-MRRAVLCJSA-N. The full InChI is InChI=1S/C27H38F2N6O/c1-15-10-22-24(18-4-6-19(7-5-18)25(28)29)32-27(33-26(22)31-17(15)3)34-12-16(2)36-23(14-34)20-11-30-35(13-20)21-8-9-21/h11,13,15-19,21,23,25H,4-10,12,14H2,1-3H3,(H,31,32,33)/t15?,16-,17?,18?,19?,23-/m1/s1.
What are the key properties of (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[4-(difluoromethyl)cyclohexyl]-6,7-dimethyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine?
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[4-(difluoromethyl)cyclohexyl]-6,7-dimethyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine has a molecular weight of 500.64 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[4-(difluoromethyl)cyclohexyl]-6,7-dimethyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine is sourced from PubChem (CID 166121703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).