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

C22H21F6N5O — CID 166961625

IUPAC6-[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
SMILESFC(F)(F)COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2cc1C1CC1
InChIInChI=1S/C22H21F6N5O/c23-21(24,25)11-34-18-6-20-30-9-17(33(20)10-13(18)12-4-5-12)15-2-1-3-19(31-15)32-16-8-29-7-14(16)22(26,27)28/h1-3,6,9-10,12,14,16,29H,4-5,7-8,11H2,(H,31,32)/t14-,16-/m0/s1
InChIKeyWQCQKWCZKJUPMP-HOCLYGCPSA-N
MW485.43 g/mol
LogP4.78
Rot. Bonds6

About 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

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 (PubChem CID 166961625) has the molecular formula C22H21F6N5O and a molecular weight of 485.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID166961625
Molecular FormulaC22H21F6N5O
Molecular Weight485.43 g/mol
Exact Mass485.17
IUPAC Name6-[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
SMILESFC(F)(F)COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2cc1C1CC1
InChIInChI=1S/C22H21F6N5O/c23-21(24,25)11-34-18-6-20-30-9-17(33(20)10-13(18)12-4-5-12)15-2-1-3-19(31-15)32-16-8-29-7-14(16)22(26,27)28/h1-3,6,9-10,12,14,16,29H,4-5,7-8,11H2,(H,31,32)/t14-,16-/m0/s1
InChIKeyWQCQKWCZKJUPMP-HOCLYGCPSA-N
XLogP4.78
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.43
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(F)(F)COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2cc1C1CC1.
What is the InChIKey of 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?
The InChIKey is WQCQKWCZKJUPMP-HOCLYGCPSA-N. The full InChI is InChI=1S/C22H21F6N5O/c23-21(24,25)11-34-18-6-20-30-9-17(33(20)10-13(18)12-4-5-12)15-2-1-3-19(31-15)32-16-8-29-7-14(16)22(26,27)28/h1-3,6,9-10,12,14,16,29H,4-5,7-8,11H2,(H,31,32)/t14-,16-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 485.43 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166961625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).