N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]formamide

C17H16F3N7O — CID 139343611

IUPACN-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]formamide
SMILESO=CNC1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C17H16F3N7O/c18-17(19,20)13-9-27-12(6-23-15(27)7-22-13)16-21-4-3-14(25-16)26-5-1-2-11(8-26)24-10-28/h3-4,6-7,9-11H,1-2,5,8H2,(H,24,28)
InChIKeyYKATWIPJLSVTLS-UHFFFAOYSA-N
MW391.36 g/mol
LogP1.92
Rot. Bonds4

About N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]formamide

N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]formamide (PubChem CID 139343611) has the molecular formula C17H16F3N7O and a molecular weight of 391.36 g/mol. Its IUPAC name is N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]formamide.

Molecular Properties

Compound NameN-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]formamide
PubChem CID139343611
Molecular FormulaC17H16F3N7O
Molecular Weight391.36 g/mol
Exact Mass391.14
IUPAC NameN-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]formamide
SMILESO=CNC1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C17H16F3N7O/c18-17(19,20)13-9-27-12(6-23-15(27)7-22-13)16-21-4-3-14(25-16)26-5-1-2-11(8-26)24-10-28/h3-4,6-7,9-11H,1-2,5,8H2,(H,24,28)
InChIKeyYKATWIPJLSVTLS-UHFFFAOYSA-N
XLogP1.92
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]formamide?
The IUPAC name of N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]formamide (CID 139343611) is N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]formamide.
What is the SMILES notation for N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]formamide?
The canonical SMILES for N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]formamide is O=CNC1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]formamide?
The InChIKey is YKATWIPJLSVTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N7O/c18-17(19,20)13-9-27-12(6-23-15(27)7-22-13)16-21-4-3-14(25-16)26-5-1-2-11(8-26)24-10-28/h3-4,6-7,9-11H,1-2,5,8H2,(H,24,28).
What are the key properties of N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]formamide?
N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]formamide has a molecular weight of 391.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]formamide is sourced from PubChem (CID 139343611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).