[6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

C22H22F2N4O2 — CID 118590398

IUPAC[6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1cnc2ccc(N3CCC[C@H]3c3cc(F)ccc3F)cn12)N1CC[C@H](O)C1
InChIInChI=1S/C22H22F2N4O2/c23-14-3-5-18(24)17(10-14)19-2-1-8-27(19)15-4-6-21-25-11-20(28(21)12-15)22(30)26-9-7-16(29)13-26/h3-6,10-12,16,19,29H,1-2,7-9,13H2/t16-,19-/m0/s1
InChIKeyKPMRPAWBVOFQMP-LPHOPBHVSA-N
MW412.44 g/mol
LogP3.16
Rot. Bonds3

About [6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

[6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 118590398) has the molecular formula C22H22F2N4O2 and a molecular weight of 412.44 g/mol. Its IUPAC name is [6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID118590398
Molecular FormulaC22H22F2N4O2
Molecular Weight412.44 g/mol
Exact Mass412.17
IUPAC Name[6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1cnc2ccc(N3CCC[C@H]3c3cc(F)ccc3F)cn12)N1CC[C@H](O)C1
InChIInChI=1S/C22H22F2N4O2/c23-14-3-5-18(24)17(10-14)19-2-1-8-27(19)15-4-6-21-25-11-20(28(21)12-15)22(30)26-9-7-16(29)13-26/h3-6,10-12,16,19,29H,1-2,7-9,13H2/t16-,19-/m0/s1
InChIKeyKPMRPAWBVOFQMP-LPHOPBHVSA-N
XLogP3.16
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144985682
6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(3-hydroxypyrrolidin-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide
CID 118590455
6-[2-(2,5-difluorophenyl)piperidin-1-yl]-N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide
CID 118590304
6-[2-(2,5-difluorophenyl)piperidin-1-yl]-N-[4-(3-hydroxypyrrolidin-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide
CID 118590306
6-[2-(2,5-difluorophenyl)piperidin-1-yl]-N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]sulfonyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 118590295
6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide
CID 118590605
(3R)-N-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-hydroxypyrrolidine-1-carboxamide;hydrochloride
CID 67307161
N-[cyclopropylmethyl(pyridin-3-yl)sulfamoyl]-6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 118590596
6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 118590619
(3S)-N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide
CID 131983469
[11-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-5,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 147868750
N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methylpyrrolidine-1-carboxamide
CID 139496082

Frequently Asked Questions

What is the IUPAC name of [6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (CID 118590398) is [6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is O=C(c1cnc2ccc(N3CCC[C@H]3c3cc(F)ccc3F)cn12)N1CC[C@H](O)C1.
What is the InChIKey of [6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is KPMRPAWBVOFQMP-LPHOPBHVSA-N. The full InChI is InChI=1S/C22H22F2N4O2/c23-14-3-5-18(24)17(10-14)19-2-1-8-27(19)15-4-6-21-25-11-20(28(21)12-15)22(30)26-9-7-16(29)13-26/h3-6,10-12,16,19,29H,1-2,7-9,13H2/t16-,19-/m0/s1.
What are the key properties of [6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
[6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 412.44 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 118590398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).