N-[(3R,4S)-4-methylpyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine

C20H21F3N6 — CID 164560898

IUPACN-[(3R,4S)-4-methylpyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine
SMILESC[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3cnc(C4(C(F)(F)F)CC4)cn23)n1
InChIInChI=1S/C20H21F3N6/c1-12-7-24-8-14(12)28-17-4-2-3-13(27-17)15-9-26-18-10-25-16(11-29(15)18)19(5-6-19)20(21,22)23/h2-4,9-12,14,24H,5-8H2,1H3,(H,27,28)/t12-,14-/m0/s1
InChIKeyBMQGEIMDYOKNBZ-JSGCOSHPSA-N
MW402.42 g/mol
LogP3.40
Rot. Bonds4

About N-[(3R,4S)-4-methylpyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine

N-[(3R,4S)-4-methylpyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine (PubChem CID 164560898) has the molecular formula C20H21F3N6 and a molecular weight of 402.42 g/mol. Its IUPAC name is N-[(3R,4S)-4-methylpyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3R,4S)-4-methylpyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine
PubChem CID164560898
Molecular FormulaC20H21F3N6
Molecular Weight402.42 g/mol
Exact Mass402.18
IUPAC NameN-[(3R,4S)-4-methylpyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine
SMILESC[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3cnc(C4(C(F)(F)F)CC4)cn23)n1
InChIInChI=1S/C20H21F3N6/c1-12-7-24-8-14(12)28-17-4-2-3-13(27-17)15-9-26-18-10-25-16(11-29(15)18)19(5-6-19)20(21,22)23/h2-4,9-12,14,24H,5-8H2,1H3,(H,27,28)/t12-,14-/m0/s1
InChIKeyBMQGEIMDYOKNBZ-JSGCOSHPSA-N
XLogP3.40
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;N-[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine
CID 169129462
6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine
CID 170646369
(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
tert-butyl (3S,4S)-3-fluoro-4-[[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 163677775
N-pyrrolidin-3-yl-6-[7-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
CID 164537113
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
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
2-[3-[6-[[(3S)-4,4-difluoropiperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 166961620
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
N-[[(3R,4R)-3-fluoropiperidin-4-yl]methyl]-6-[6-(1-methylcyclopropyl)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine
CID 170646438
N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-(6-methylimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 170240945
N-[(3R)-pyrrolidin-3-yl]-6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine
CID 164560903

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-methylpyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine?
The IUPAC name of N-[(3R,4S)-4-methylpyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine (CID 164560898) is N-[(3R,4S)-4-methylpyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-[(3R,4S)-4-methylpyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine?
The canonical SMILES for N-[(3R,4S)-4-methylpyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine is C[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3cnc(C4(C(F)(F)F)CC4)cn23)n1.
What is the InChIKey of N-[(3R,4S)-4-methylpyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine?
The InChIKey is BMQGEIMDYOKNBZ-JSGCOSHPSA-N. The full InChI is InChI=1S/C20H21F3N6/c1-12-7-24-8-14(12)28-17-4-2-3-13(27-17)15-9-26-18-10-25-16(11-29(15)18)19(5-6-19)20(21,22)23/h2-4,9-12,14,24H,5-8H2,1H3,(H,27,28)/t12-,14-/m0/s1.
What are the key properties of N-[(3R,4S)-4-methylpyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine?
N-[(3R,4S)-4-methylpyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine has a molecular weight of 402.42 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-methylpyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine is sourced from PubChem (CID 164560898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).