1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide

C20H22F3N7O2 — CID 139344597

IUPAC1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide
SMILESCOCCN1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1C(N)=O
InChIInChI=1S/C20H22F3N7O2/c1-32-9-8-28-6-7-29(12-15(28)18(24)31)17-4-5-25-19(27-17)14-10-26-16-3-2-13(11-30(14)16)20(21,22)23/h2-5,10-11,15H,6-9,12H2,1H3,(H2,24,31)
InChIKeyDEVROBYEKAJVTE-UHFFFAOYSA-N
MW449.44 g/mol
LogP1.43
Rot. Bonds6

About 1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide

1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide (PubChem CID 139344597) has the molecular formula C20H22F3N7O2 and a molecular weight of 449.44 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide
PubChem CID139344597
Molecular FormulaC20H22F3N7O2
Molecular Weight449.44 g/mol
Exact Mass449.18
IUPAC Name1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide
SMILESCOCCN1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1C(N)=O
InChIInChI=1S/C20H22F3N7O2/c1-32-9-8-28-6-7-29(12-15(28)18(24)31)17-4-5-25-19(27-17)14-10-26-16-3-2-13(11-30(14)16)20(21,22)23/h2-5,10-11,15H,6-9,12H2,1H3,(H2,24,31)
InChIKeyDEVROBYEKAJVTE-UHFFFAOYSA-N
XLogP1.43
TPSA101.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.44
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide (CID 139344597) is 1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide is COCCN1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1C(N)=O.
What is the InChIKey of 1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide?
The InChIKey is DEVROBYEKAJVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N7O2/c1-32-9-8-28-6-7-29(12-15(28)18(24)31)17-4-5-25-19(27-17)14-10-26-16-3-2-13(11-30(14)16)20(21,22)23/h2-5,10-11,15H,6-9,12H2,1H3,(H2,24,31).
What are the key properties of 1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide?
1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide has a molecular weight of 449.44 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide is sourced from PubChem (CID 139344597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).