6-[6-cyclopropyl-7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine

C21H22F3N5O — CID 166961558

IUPAC6-[6-cyclopropyl-7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
SMILESFC(F)COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1C1CC1
InChIInChI=1S/C21H22F3N5O/c22-14-7-25-8-16(14)28-20-3-1-2-15(27-20)17-9-26-21-6-18(30-11-19(23)24)13(10-29(17)21)12-4-5-12/h1-3,6,9-10,12,14,16,19,25H,4-5,7-8,11H2,(H,27,28)/t14-,16-/m0/s1
InChIKeyHMDJPTMJXPUQLL-HOCLYGCPSA-N
MW417.44 g/mol
LogP3.64
Rot. Bonds7

About 6-[6-cyclopropyl-7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine

6-[6-cyclopropyl-7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine (PubChem CID 166961558) has the molecular formula C21H22F3N5O and a molecular weight of 417.44 g/mol. Its IUPAC name is 6-[6-cyclopropyl-7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[6-cyclopropyl-7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
PubChem CID166961558
Molecular FormulaC21H22F3N5O
Molecular Weight417.44 g/mol
Exact Mass417.18
IUPAC Name6-[6-cyclopropyl-7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
SMILESFC(F)COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1C1CC1
InChIInChI=1S/C21H22F3N5O/c22-14-7-25-8-16(14)28-20-3-1-2-15(27-20)17-9-26-21-6-18(30-11-19(23)24)13(10-29(17)21)12-4-5-12/h1-3,6,9-10,12,14,16,19,25H,4-5,7-8,11H2,(H,27,28)/t14-,16-/m0/s1
InChIKeyHMDJPTMJXPUQLL-HOCLYGCPSA-N
XLogP3.64
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[6-cyclopropyl-7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-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-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
The IUPAC name of 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) is 6-[6-cyclopropyl-7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 6-[6-cyclopropyl-7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
The canonical SMILES for 6-[6-cyclopropyl-7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine is FC(F)COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1C1CC1.
What is the InChIKey of 6-[6-cyclopropyl-7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is HMDJPTMJXPUQLL-HOCLYGCPSA-N. The full InChI is InChI=1S/C21H22F3N5O/c22-14-7-25-8-16(14)28-20-3-1-2-15(27-20)17-9-26-21-6-18(30-11-19(23)24)13(10-29(17)21)12-4-5-12/h1-3,6,9-10,12,14,16,19,25H,4-5,7-8,11H2,(H,27,28)/t14-,16-/m0/s1.
What are the key properties of 6-[6-cyclopropyl-7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
6-[6-cyclopropyl-7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 417.44 g/mol, XLogP of 3.64, 7 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-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 166961558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).