3-[2-[(3S,5R)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C24H26F3N7O — CID 139344638

IUPAC3-[2-[(3S,5R)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCOCCn1cc([C@@H]2C[C@@H](C)CN(c3nccc(-c4cnc5ccc(C(F)(F)F)cn45)n3)C2)cn1
InChIInChI=1S/C24H26F3N7O/c1-16-9-17(18-10-30-33(14-18)7-8-35-2)13-32(12-16)23-28-6-5-20(31-23)21-11-29-22-4-3-19(15-34(21)22)24(25,26)27/h3-6,10-11,14-17H,7-9,12-13H2,1-2H3/t16-,17-/m1/s1
InChIKeyZRUYQCSOFVXLRG-IAGOWNOFSA-N
MW485.51 g/mol
LogP4.28
Rot. Bonds6

About 3-[2-[(3S,5R)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

3-[2-[(3S,5R)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 139344638) has the molecular formula C24H26F3N7O and a molecular weight of 485.51 g/mol. Its IUPAC name is 3-[2-[(3S,5R)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[2-[(3S,5R)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID139344638
Molecular FormulaC24H26F3N7O
Molecular Weight485.51 g/mol
Exact Mass485.22
IUPAC Name3-[2-[(3S,5R)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCOCCn1cc([C@@H]2C[C@@H](C)CN(c3nccc(-c4cnc5ccc(C(F)(F)F)cn45)n3)C2)cn1
InChIInChI=1S/C24H26F3N7O/c1-16-9-17(18-10-30-33(14-18)7-8-35-2)13-32(12-16)23-28-6-5-20(31-23)21-11-29-22-4-3-19(15-34(21)22)24(25,26)27/h3-6,10-11,14-17H,7-9,12-13H2,1-2H3/t16-,17-/m1/s1
InChIKeyZRUYQCSOFVXLRG-IAGOWNOFSA-N
XLogP4.28
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3S,5R)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[2-[(3S,5R)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 139344638) is 3-[2-[(3S,5R)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[2-[(3S,5R)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[2-[(3S,5R)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is COCCn1cc([C@@H]2C[C@@H](C)CN(c3nccc(-c4cnc5ccc(C(F)(F)F)cn45)n3)C2)cn1.
What is the InChIKey of 3-[2-[(3S,5R)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is ZRUYQCSOFVXLRG-IAGOWNOFSA-N. The full InChI is InChI=1S/C24H26F3N7O/c1-16-9-17(18-10-30-33(14-18)7-8-35-2)13-32(12-16)23-28-6-5-20(31-23)21-11-29-22-4-3-19(15-34(21)22)24(25,26)27/h3-6,10-11,14-17H,7-9,12-13H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of 3-[2-[(3S,5R)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[2-[(3S,5R)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 485.51 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3S,5R)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 139344638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).