N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-pyrazol-4-amine

C18H16F3N9 — CID 139359132

IUPACN-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-pyrazol-4-amine
SMILESFC(F)(F)c1cn2c(-c3nccc(N4CCC(Nc5cn[nH]c5)C4)n3)cnc2cn1
InChIInChI=1S/C18H16F3N9/c19-18(20,21)14-10-30-13(7-24-16(30)8-23-14)17-22-3-1-15(28-17)29-4-2-11(9-29)27-12-5-25-26-6-12/h1,3,5-8,10-11,27H,2,4,9H2,(H,25,26)
InChIKeyNQFWKXBLSHSCGG-UHFFFAOYSA-N
MW415.38 g/mol
LogP2.62
Rot. Bonds4

About N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-pyrazol-4-amine

N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-pyrazol-4-amine (PubChem CID 139359132) has the molecular formula C18H16F3N9 and a molecular weight of 415.38 g/mol. Its IUPAC name is N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-pyrazol-4-amine
PubChem CID139359132
Molecular FormulaC18H16F3N9
Molecular Weight415.38 g/mol
Exact Mass415.15
IUPAC NameN-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-pyrazol-4-amine
SMILESFC(F)(F)c1cn2c(-c3nccc(N4CCC(Nc5cn[nH]c5)C4)n3)cnc2cn1
InChIInChI=1S/C18H16F3N9/c19-18(20,21)14-10-30-13(7-24-16(30)8-23-14)17-22-3-1-15(28-17)29-4-2-11(9-29)27-12-5-25-26-6-12/h1,3,5-8,10-11,27H,2,4,9H2,(H,25,26)
InChIKeyNQFWKXBLSHSCGG-UHFFFAOYSA-N
XLogP2.62
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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]pyrrolidin-3-yl]-1H-pyrazol-4-amine?
The IUPAC name of N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-pyrazol-4-amine (CID 139359132) is N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-pyrazol-4-amine.
What is the SMILES notation for N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-pyrazol-4-amine?
The canonical SMILES for N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-pyrazol-4-amine is FC(F)(F)c1cn2c(-c3nccc(N4CCC(Nc5cn[nH]c5)C4)n3)cnc2cn1.
What is the InChIKey of N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-pyrazol-4-amine?
The InChIKey is NQFWKXBLSHSCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N9/c19-18(20,21)14-10-30-13(7-24-16(30)8-23-14)17-22-3-1-15(28-17)29-4-2-11(9-29)27-12-5-25-26-6-12/h1,3,5-8,10-11,27H,2,4,9H2,(H,25,26).
What are the key properties of N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-pyrazol-4-amine?
N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-1H-pyrazol-4-amine has a molecular weight of 415.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 8 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]pyrrolidin-3-yl]-1H-pyrazol-4-amine is sourced from PubChem (CID 139359132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).