ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate

C22H19F2N5O2 — CID 158528991

IUPACethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1C[C@@H](C)c1ccc(F)cn1
InChIInChI=1S/C22H19F2N5O2/c1-3-31-22(30)16-10-27-21(19-11-26-20-7-5-15(24)12-29(19)20)28-18(16)8-13(2)17-6-4-14(23)9-25-17/h4-7,9-13H,3,8H2,1-2H3/t13-/m1/s1
InChIKeyBMPRBFCWSABOJY-CYBMUJFWSA-N
MW423.42 g/mol
LogP3.99
Rot. Bonds6

About ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate

ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate (PubChem CID 158528991) has the molecular formula C22H19F2N5O2 and a molecular weight of 423.42 g/mol. Its IUPAC name is ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate
PubChem CID158528991
Molecular FormulaC22H19F2N5O2
Molecular Weight423.42 g/mol
Exact Mass423.15
IUPAC Nameethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1C[C@@H](C)c1ccc(F)cn1
InChIInChI=1S/C22H19F2N5O2/c1-3-31-22(30)16-10-27-21(19-11-26-20-7-5-15(24)12-29(19)20)28-18(16)8-13(2)17-6-4-14(23)9-25-17/h4-7,9-13H,3,8H2,1-2H3/t13-/m1/s1
InChIKeyBMPRBFCWSABOJY-CYBMUJFWSA-N
XLogP3.99
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate with MolForge

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Related Compounds

Ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473601
Ethyl 6-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473602
Ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473603
Ethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473604
Ethyl 16-fluoro-11-propan-2-yl-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),3,5,8,10,12,15,17-octaene-5-carboxylate
CID 10270251
4-(4-Phenethyl-piperazin-1-yl)-6,7,8,9-tetrahydro-pyrimido[4,5-b]indolizine-10-carboxylic acid methyl ester
CID 10454772
Methyl 4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]-2-fluorobenzoate
CID 86566601
Methyl 5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carboxylate
CID 89471867
Methyl 2-fluoro-4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]benzoate
CID 141370273
Methyl 3-benzyl-2-propylimidazo[1,2-a]pyridine-6-carboxylate
CID 51359030
Methyl 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 53299407
Methyl 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 53299415

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate (CID 158528991) is ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1C[C@@H](C)c1ccc(F)cn1.
What is the InChIKey of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate?
The InChIKey is BMPRBFCWSABOJY-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H19F2N5O2/c1-3-31-22(30)16-10-27-21(19-11-26-20-7-5-15(24)12-29(19)20)28-18(16)8-13(2)17-6-4-14(23)9-25-17/h4-7,9-13H,3,8H2,1-2H3/t13-/m1/s1.
What are the key properties of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate?
ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate has a molecular weight of 423.42 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate is sourced from PubChem (CID 158528991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).