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

C20H20F3N7O2 — CID 139344409

IUPAC1-(oxetan-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide
SMILESNC(=O)C1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCN1C1COC1
InChIInChI=1S/C20H20F3N7O2/c21-20(22,23)12-1-2-16-26-7-14(30(16)8-12)19-25-4-3-17(27-19)28-5-6-29(13-10-32-11-13)15(9-28)18(24)31/h1-4,7-8,13,15H,5-6,9-11H2,(H2,24,31)
InChIKeyMOYBRNPJARVVPN-UHFFFAOYSA-N
MW447.42 g/mol
LogP1.18
Rot. Bonds4

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

1-(oxetan-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide (PubChem CID 139344409) has the molecular formula C20H20F3N7O2 and a molecular weight of 447.42 g/mol. Its IUPAC name is 1-(oxetan-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide.

Molecular Properties

Compound Name1-(oxetan-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide
PubChem CID139344409
Molecular FormulaC20H20F3N7O2
Molecular Weight447.42 g/mol
Exact Mass447.16
IUPAC Name1-(oxetan-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide
SMILESNC(=O)C1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCN1C1COC1
InChIInChI=1S/C20H20F3N7O2/c21-20(22,23)12-1-2-16-26-7-14(30(16)8-12)19-25-4-3-17(27-19)28-5-6-29(13-10-32-11-13)15(9-28)18(24)31/h1-4,7-8,13,15H,5-6,9-11H2,(H2,24,31)
InChIKeyMOYBRNPJARVVPN-UHFFFAOYSA-N
XLogP1.18
TPSA101.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.42
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide?
The IUPAC name of 1-(oxetan-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide (CID 139344409) is 1-(oxetan-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide.
What is the SMILES notation for 1-(oxetan-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide?
The canonical SMILES for 1-(oxetan-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide is NC(=O)C1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCN1C1COC1.
What is the InChIKey of 1-(oxetan-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide?
The InChIKey is MOYBRNPJARVVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N7O2/c21-20(22,23)12-1-2-16-26-7-14(30(16)8-12)19-25-4-3-17(27-19)28-5-6-29(13-10-32-11-13)15(9-28)18(24)31/h1-4,7-8,13,15H,5-6,9-11H2,(H2,24,31).
What are the key properties of 1-(oxetan-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide?
1-(oxetan-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide has a molecular weight of 447.42 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide is sourced from PubChem (CID 139344409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).