[(3S,4R)-4-[[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidin-3-yl]methanol

C18H19F2N5O2 — CID 169074495

IUPAC[(3S,4R)-4-[[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(OC(F)F)cn23)n1
InChIInChI=1S/C18H19F2N5O2/c19-18(20)27-12-4-5-17-22-8-15(25(17)9-12)13-2-1-3-16(23-13)24-14-7-21-6-11(14)10-26/h1-5,8-9,11,14,18,21,26H,6-7,10H2,(H,23,24)/t11-,14+/m1/s1
InChIKeyCFBKGVOKLIQQJD-RISCZKNCSA-N
MW375.38 g/mol
LogP1.99
Rot. Bonds6

About [(3S,4R)-4-[[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidin-3-yl]methanol

[(3S,4R)-4-[[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidin-3-yl]methanol (PubChem CID 169074495) has the molecular formula C18H19F2N5O2 and a molecular weight of 375.38 g/mol. Its IUPAC name is [(3S,4R)-4-[[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4R)-4-[[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidin-3-yl]methanol
PubChem CID169074495
Molecular FormulaC18H19F2N5O2
Molecular Weight375.38 g/mol
Exact Mass375.15
IUPAC Name[(3S,4R)-4-[[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(OC(F)F)cn23)n1
InChIInChI=1S/C18H19F2N5O2/c19-18(20)27-12-4-5-17-22-8-15(25(17)9-12)13-2-1-3-16(23-13)24-14-7-21-6-11(14)10-26/h1-5,8-9,11,14,18,21,26H,6-7,10H2,(H,23,24)/t11-,14+/m1/s1
InChIKeyCFBKGVOKLIQQJD-RISCZKNCSA-N
XLogP1.99
TPSA83.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(3S,4R)-4-[[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidin-3-yl]methanol with MolForge

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Related Compounds

(1S)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methyl-propan-1-ol
CID 134590083
6-(6-(difluorometh-oxy)imidazo[1,2-a]-pyridin-3-yl)-N-((3S, 4S)-4-fluoropyrrolidin-3-yl)pyridin-2-amine
CID 163603259
6-(7-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
CID 163632878
N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(6-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 163752818
N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 163766315
6-[7-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
CID 164023848
1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]-1-[(1R)-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]urea
CID 164536645
6-(7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl)-N-((3S,4S)-4-fluoropyrrolidin-3-yl)pyridin-2-amine
CID 166961542
N-((3S,4S)-4-fluoropyrrolidin-3-yl)-6-(7-isopropoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 166961710
(8-Benzyloxy-2-methyl-imidazo[1,2-a]pyridin-3-yl)-methanol
CID 9860166
N-(2-(6-Methoxy-2-phenylimidazo[1,2-a]pyridin-3-yl)ethyl)acetamide
CID 11702296
6-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-N-piperidin-4-ylpyridin-2-amine
CID 25169380

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-[[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4R)-4-[[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidin-3-yl]methanol (CID 169074495) is [(3S,4R)-4-[[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4R)-4-[[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4R)-4-[[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidin-3-yl]methanol is OC[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(OC(F)F)cn23)n1.
What is the InChIKey of [(3S,4R)-4-[[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidin-3-yl]methanol?
The InChIKey is CFBKGVOKLIQQJD-RISCZKNCSA-N. The full InChI is InChI=1S/C18H19F2N5O2/c19-18(20)27-12-4-5-17-22-8-15(25(17)9-12)13-2-1-3-16(23-13)24-14-7-21-6-11(14)10-26/h1-5,8-9,11,14,18,21,26H,6-7,10H2,(H,23,24)/t11-,14+/m1/s1.
What are the key properties of [(3S,4R)-4-[[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidin-3-yl]methanol?
[(3S,4R)-4-[[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidin-3-yl]methanol has a molecular weight of 375.38 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-[[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 169074495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).