1-[4-[4-[[4-imidazo[1,2-a]pyridin-3-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-1-yl]ethanone

C26H25F3N6O2 — CID 68591622

IUPAC1-[4-[4-[[4-imidazo[1,2-a]pyridin-3-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-1-yl]ethanone
SMILESCOc1cc(C2CCN(C(C)=O)CC2)ccc1Nc1ncc(C(F)(F)F)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C26H25F3N6O2/c1-16(36)34-11-8-17(9-12-34)18-6-7-20(22(13-18)37-2)32-25-31-14-19(26(27,28)29)24(33-25)21-15-30-23-5-3-4-10-35(21)23/h3-7,10,13-15,17H,8-9,11-12H2,1-2H3,(H,31,32,33)
InChIKeyLOPJDHZDZWYGGM-UHFFFAOYSA-N
MW510.52 g/mol
LogP5.29
Rot. Bonds5

About 1-[4-[4-[[4-imidazo[1,2-a]pyridin-3-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-1-yl]ethanone

1-[4-[4-[[4-imidazo[1,2-a]pyridin-3-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-1-yl]ethanone (PubChem CID 68591622) has the molecular formula C26H25F3N6O2 and a molecular weight of 510.52 g/mol. Its IUPAC name is 1-[4-[4-[[4-imidazo[1,2-a]pyridin-3-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[[4-imidazo[1,2-a]pyridin-3-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-1-yl]ethanone
PubChem CID68591622
Molecular FormulaC26H25F3N6O2
Molecular Weight510.52 g/mol
Exact Mass510.20
IUPAC Name1-[4-[4-[[4-imidazo[1,2-a]pyridin-3-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-1-yl]ethanone
SMILESCOc1cc(C2CCN(C(C)=O)CC2)ccc1Nc1ncc(C(F)(F)F)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C26H25F3N6O2/c1-16(36)34-11-8-17(9-12-34)18-6-7-20(22(13-18)37-2)32-25-31-14-19(26(27,28)29)24(33-25)21-15-30-23-5-3-4-10-35(21)23/h3-7,10,13-15,17H,8-9,11-12H2,1-2H3,(H,31,32,33)
InChIKeyLOPJDHZDZWYGGM-UHFFFAOYSA-N
XLogP5.29
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.52
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 155309155
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CID 25094493
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CID 73387151
CID 73387151
CID 89996108
CID 89996108
CID 164536645
CID 164536645
CID 11697270
CID 11697270
CID 127038170
CID 127038170
CID 127038509
CID 127038509
CID 127038511
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CID 127038512
CID 127038512

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[4-imidazo[1,2-a]pyridin-3-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[[4-imidazo[1,2-a]pyridin-3-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-1-yl]ethanone (CID 68591622) is 1-[4-[4-[[4-imidazo[1,2-a]pyridin-3-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[[4-imidazo[1,2-a]pyridin-3-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[[4-imidazo[1,2-a]pyridin-3-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-1-yl]ethanone is COc1cc(C2CCN(C(C)=O)CC2)ccc1Nc1ncc(C(F)(F)F)c(-c2cnc3ccccn23)n1.
What is the InChIKey of 1-[4-[4-[[4-imidazo[1,2-a]pyridin-3-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-1-yl]ethanone?
The InChIKey is LOPJDHZDZWYGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O2/c1-16(36)34-11-8-17(9-12-34)18-6-7-20(22(13-18)37-2)32-25-31-14-19(26(27,28)29)24(33-25)21-15-30-23-5-3-4-10-35(21)23/h3-7,10,13-15,17H,8-9,11-12H2,1-2H3,(H,31,32,33).
What are the key properties of 1-[4-[4-[[4-imidazo[1,2-a]pyridin-3-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-1-yl]ethanone?
1-[4-[4-[[4-imidazo[1,2-a]pyridin-3-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-1-yl]ethanone has a molecular weight of 510.52 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[4-imidazo[1,2-a]pyridin-3-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 68591622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).