[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-[2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]methanone

C20H20F2N4O2 — CID 166313993

IUPAC[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-[2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1cc(C2CCCN2C(=O)c2cn3cc(CN)ccc3n2)cc(F)c1F
InChIInChI=1S/C20H20F2N4O2/c1-28-17-8-13(7-14(21)19(17)22)16-3-2-6-26(16)20(27)15-11-25-10-12(9-23)4-5-18(25)24-15/h4-5,7-8,10-11,16H,2-3,6,9,23H2,1H3
InChIKeyXSMGRZQTXAKBRH-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.06
Rot. Bonds4

About [6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-[2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]methanone

[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-[2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 166313993) has the molecular formula C20H20F2N4O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is [6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-[2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-[2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID166313993
Molecular FormulaC20H20F2N4O2
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC Name[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-[2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1cc(C2CCCN2C(=O)c2cn3cc(CN)ccc3n2)cc(F)c1F
InChIInChI=1S/C20H20F2N4O2/c1-28-17-8-13(7-14(21)19(17)22)16-3-2-6-26(16)20(27)15-11-25-10-12(9-23)4-5-18(25)24-15/h4-5,7-8,10-11,16H,2-3,6,9,23H2,1H3
InChIKeyXSMGRZQTXAKBRH-UHFFFAOYSA-N
XLogP3.06
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-chloroimidazo[1,2-a]pyridin-2-yl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 46974535
[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 127246847
[2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)methanone
CID 166315806
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 51257064
(7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone
CID 94249778
6-(aminomethyl)-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 167948650
[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 29357961
[4-[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methylurea
CID 42938821
(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 18147684
[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
CID 51930185
[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
CID 51930186
[4-(aminomethyl)phenyl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 119316524

Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-[2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-[2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 166313993) is [6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-[2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-[2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-[2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1cc(C2CCCN2C(=O)c2cn3cc(CN)ccc3n2)cc(F)c1F.
What is the InChIKey of [6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-[2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is XSMGRZQTXAKBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2/c1-28-17-8-13(7-14(21)19(17)22)16-3-2-6-26(16)20(27)15-11-25-10-12(9-23)4-5-18(25)24-15/h4-5,7-8,10-11,16H,2-3,6,9,23H2,1H3.
What are the key properties of [6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-[2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]methanone?
[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-[2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 386.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-[2-(3,4-difluoro-5-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 166313993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).