(2S)-5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxylic acid

C21H21F2N3O3 — CID 118235595

IUPAC(2S)-5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxylic acid
SMILESCc1nc2ccc(C3CC[C@@H](C(=O)O)N3)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C21H21F2N3O3/c1-12-17(10-13-4-2-3-5-18(13)29-21(22)23)26-11-14(6-9-19(26)24-12)15-7-8-16(25-15)20(27)28/h2-6,9,11,15-16,21,25H,7-8,10H2,1H3,(H,27,28)/t15?,16-/m0/s1
InChIKeyHMOJCRKWNAVOTP-LYKKTTPLSA-N
MW401.41 g/mol
LogP3.71
Rot. Bonds6

About (2S)-5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxylic acid

(2S)-5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxylic acid (PubChem CID 118235595) has the molecular formula C21H21F2N3O3 and a molecular weight of 401.41 g/mol. Its IUPAC name is (2S)-5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxylic acid
PubChem CID118235595
Molecular FormulaC21H21F2N3O3
Molecular Weight401.41 g/mol
Exact Mass401.16
IUPAC Name(2S)-5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxylic acid
SMILESCc1nc2ccc(C3CC[C@@H](C(=O)O)N3)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C21H21F2N3O3/c1-12-17(10-13-4-2-3-5-18(13)29-21(22)23)26-11-14(6-9-19(26)24-12)15-7-8-16(25-15)20(27)28/h2-6,9,11,15-16,21,25H,7-8,10H2,1H3,(H,27,28)/t15?,16-/m0/s1
InChIKeyHMOJCRKWNAVOTP-LYKKTTPLSA-N
XLogP3.71
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidine-4-carboxylate
CID 72721502
5-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-2-carboxylic acid
CID 118235870
(1R,5S)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 118235480
1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-3-carboxylic acid
CID 118235507
3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine
CID 118235766
6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazine
CID 118207243
potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]cyclohexane-1-carboxylate
CID 140680550
azanium (1S,5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 72721302
1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 72720693
azanium 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]cyclopentane-1-carboxylate
CID 118235672
3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-piperidin-4-ylimidazo[1,2-a]pyrazine;hydrochloride
CID 118207230
methyl 1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]azepane-4-carboxylate
CID 118235740

Frequently Asked Questions

What is the IUPAC name of (2S)-5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxylic acid (CID 118235595) is (2S)-5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxylic acid is Cc1nc2ccc(C3CC[C@@H](C(=O)O)N3)cn2c1Cc1ccccc1OC(F)F.
What is the InChIKey of (2S)-5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is HMOJCRKWNAVOTP-LYKKTTPLSA-N. The full InChI is InChI=1S/C21H21F2N3O3/c1-12-17(10-13-4-2-3-5-18(13)29-21(22)23)26-11-14(6-9-19(26)24-12)15-7-8-16(25-15)20(27)28/h2-6,9,11,15-16,21,25H,7-8,10H2,1H3,(H,27,28)/t15?,16-/m0/s1.
What are the key properties of (2S)-5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxylic acid?
(2S)-5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 401.41 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 118235595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).