6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine

C18H16F6N6O — CID 170646369

IUPAC6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine
SMILESFC(F)(F)COc1cn2c(-c3cccc(NC4CNCC4C(F)(F)F)n3)cnc2cn1
InChIInChI=1S/C18H16F6N6O/c19-17(20,21)9-31-16-8-30-13(6-26-15(30)7-27-16)11-2-1-3-14(28-11)29-12-5-25-4-10(12)18(22,23)24/h1-3,6-8,10,12,25H,4-5,9H2,(H,28,29)
InChIKeyNNCUUGIDJWPZQI-UHFFFAOYSA-N
MW446.36 g/mol
LogP3.29
Rot. Bonds5

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

6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine (PubChem CID 170646369) has the molecular formula C18H16F6N6O and a molecular weight of 446.36 g/mol. Its IUPAC name is 6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine
PubChem CID170646369
Molecular FormulaC18H16F6N6O
Molecular Weight446.36 g/mol
Exact Mass446.13
IUPAC Name6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine
SMILESFC(F)(F)COc1cn2c(-c3cccc(NC4CNCC4C(F)(F)F)n3)cnc2cn1
InChIInChI=1S/C18H16F6N6O/c19-17(20,21)9-31-16-8-30-13(6-26-15(30)7-27-16)11-2-1-3-14(28-11)29-12-5-25-4-10(12)18(22,23)24/h1-3,6-8,10,12,25H,4-5,9H2,(H,28,29)
InChIKeyNNCUUGIDJWPZQI-UHFFFAOYSA-N
XLogP3.29
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[6-cyclopropyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine
CID 166961625
N-[(3R)-pyrrolidin-3-yl]-6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine
CID 164560903
N-[6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine
CID 170646416
N-[(2S,4S)-2-methylpiperidin-4-yl]-6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine
CID 164561124
1-[4-[7-methoxy-3-[6-[[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 166961617
6-[6-(1-cyclopropylpyrazol-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine
CID 169129558
N-[(3R,4S)-4-methylpyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine
CID 164560898
(2R)-1,1,1-trifluoro-2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol
CID 167137335
N-pyrrolidin-3-yl-6-[7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
CID 166961993
N-[(3R)-piperidin-3-yl]-6-(6-propan-2-yloxyimidazo[1,2-a]pyrazin-3-yl)pyridin-2-amine
CID 164561154
N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-6-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
CID 166961718
6-[6-cyclopropyl-7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
CID 166961558

Frequently Asked Questions

What is the IUPAC name of 6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine?
The IUPAC name of 6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine (CID 170646369) is 6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine?
The canonical SMILES for 6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine is FC(F)(F)COc1cn2c(-c3cccc(NC4CNCC4C(F)(F)F)n3)cnc2cn1.
What is the InChIKey of 6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is NNCUUGIDJWPZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6N6O/c19-17(20,21)9-31-16-8-30-13(6-26-15(30)7-27-16)11-2-1-3-14(28-11)29-12-5-25-4-10(12)18(22,23)24/h1-3,6-8,10,12,25H,4-5,9H2,(H,28,29).
What are the key properties of 6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine?
6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 446.36 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 170646369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).