6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridin-2-amine

C18H19F2N5O — CID 166961813

IUPAC6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridin-2-amine
SMILESCO[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(C(F)F)cn23)n1
InChIInChI=1S/C18H19F2N5O/c1-26-15-9-21-7-13(15)24-16-4-2-3-12(23-16)14-8-22-17-6-5-11(18(19)20)10-25(14)17/h2-6,8,10,13,15,18,21H,7,9H2,1H3,(H,23,24)/t13-,15-/m0/s1
InChIKeyTZUYQGIZCUHALE-ZFWWWQNUSA-N
MW359.38 g/mol
LogP2.73
Rot. Bonds5

About 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridin-2-amine

6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridin-2-amine (PubChem CID 166961813) has the molecular formula C18H19F2N5O and a molecular weight of 359.38 g/mol. Its IUPAC name is 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridin-2-amine
PubChem CID166961813
Molecular FormulaC18H19F2N5O
Molecular Weight359.38 g/mol
Exact Mass359.16
IUPAC Name6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridin-2-amine
SMILESCO[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(C(F)F)cn23)n1
InChIInChI=1S/C18H19F2N5O/c1-26-15-9-21-7-13(15)24-16-4-2-3-12(23-16)14-8-22-17-6-5-11(18(19)20)10-25(14)17/h2-6,8,10,13,15,18,21H,7,9H2,1H3,(H,23,24)/t13-,15-/m0/s1
InChIKeyTZUYQGIZCUHALE-ZFWWWQNUSA-N
XLogP2.73
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Fadraciclib
CID 24983461
Gsk-3494245
CID 126571915
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
(2R,3S)-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol
CID 9842276
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-hexan-3-ol
CID 12111409
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol
CID 12111411
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2,2-dimethyl-hexan-3-ol
CID 12111413
4-(7-((dimethylamino)methyl)-2-(4-fluorophenyl)H-imidazo[1,2-a]pyridin-3-yl)-N-((S)-1-phenylethyl)pyrimidin-2-amine
CID 10162057
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}ethylamine
CID 24746214
2-{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamino}ethanol
CID 24746215
Cyclopropyl{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24746216
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}propylamine
CID 24746217

Frequently Asked Questions

What is the IUPAC name of 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridin-2-amine?
The IUPAC name of 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridin-2-amine (CID 166961813) is 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridin-2-amine?
The canonical SMILES for 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridin-2-amine is CO[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(C(F)F)cn23)n1.
What is the InChIKey of 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is TZUYQGIZCUHALE-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H19F2N5O/c1-26-15-9-21-7-13(15)24-16-4-2-3-12(23-16)14-8-22-17-6-5-11(18(19)20)10-25(14)17/h2-6,8,10,13,15,18,21H,7,9H2,1H3,(H,23,24)/t13-,15-/m0/s1.
What are the key properties of 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridin-2-amine?
6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 359.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 166961813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).