4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine

C18H15F3N8 — CID 166605509

IUPAC4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine
SMILESFC(F)(F)c1cn2ccnc(N3CCN(c4ncnc5ncccc45)CC3)c2n1
InChIInChI=1S/C18H15F3N8/c19-18(20,21)13-10-29-5-4-23-16(17(29)26-13)28-8-6-27(7-9-28)15-12-2-1-3-22-14(12)24-11-25-15/h1-5,10-11H,6-9H2
InChIKeyTZIXPVRPNXQTPB-UHFFFAOYSA-N
MW400.37 g/mol
LogP2.41
Rot. Bonds2

About 4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine

4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine (PubChem CID 166605509) has the molecular formula C18H15F3N8 and a molecular weight of 400.37 g/mol. Its IUPAC name is 4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine
PubChem CID166605509
Molecular FormulaC18H15F3N8
Molecular Weight400.37 g/mol
Exact Mass400.14
IUPAC Name4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine
SMILESFC(F)(F)c1cn2ccnc(N3CCN(c4ncnc5ncccc45)CC3)c2n1
InChIInChI=1S/C18H15F3N8/c19-18(20,21)13-10-29-5-4-23-16(17(29)26-13)28-8-6-27(7-9-28)15-12-2-1-3-22-14(12)24-11-25-15/h1-5,10-11H,6-9H2
InChIKeyTZIXPVRPNXQTPB-UHFFFAOYSA-N
XLogP2.41
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.37
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine (CID 166605509) is 4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine is FC(F)(F)c1cn2ccnc(N3CCN(c4ncnc5ncccc45)CC3)c2n1.
What is the InChIKey of 4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine?
The InChIKey is TZIXPVRPNXQTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N8/c19-18(20,21)13-10-29-5-4-23-16(17(29)26-13)28-8-6-27(7-9-28)15-12-2-1-3-22-14(12)24-11-25-15/h1-5,10-11H,6-9H2.
What are the key properties of 4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine?
4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine has a molecular weight of 400.37 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 166605509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).