ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate;pyridin-3-ylmethanamine

C41H36ClF2N11O4 — CID 158474716

IUPACethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate;pyridin-3-ylmethanamine
SMILESCCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1CCc1cccnc1.CCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1Cl.NCc1cccnc1
InChIInChI=1S/C21H18FN5O2.C14H10ClFN4O2.C6H8N2/c1-2-29-21(28)16-11-25-20(18-12-24-19-8-6-15(22)13-27(18)19)26-17(16)7-5-14-4-3-9-23-10-14;1-2-22-14(21)9-5-18-13(19-12(9)15)10-6-17-11-4-3-8(16)7-20(10)11;7-4-6-2-1-3-8-5-6/h3-4,6,8-13H,2,5,7H2,1H3;3-7H,2H2,1H3;1-3,5H,4,7H2
InChIKeyHGUFZXBDIXQMPK-UHFFFAOYSA-N
MW820.26 g/mol
LogP6.59
Rot. Bonds10

About ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate;pyridin-3-ylmethanamine

ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate;pyridin-3-ylmethanamine (PubChem CID 158474716) has the molecular formula C41H36ClF2N11O4 and a molecular weight of 820.26 g/mol. Its IUPAC name is ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate;pyridin-3-ylmethanamine.

Molecular Properties

Compound Nameethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate;pyridin-3-ylmethanamine
PubChem CID158474716
Molecular FormulaC41H36ClF2N11O4
Molecular Weight820.26 g/mol
Exact Mass819.26
IUPAC Nameethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate;pyridin-3-ylmethanamine
SMILESCCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1CCc1cccnc1.CCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1Cl.NCc1cccnc1
InChIInChI=1S/C21H18FN5O2.C14H10ClFN4O2.C6H8N2/c1-2-29-21(28)16-11-25-20(18-12-24-19-8-6-15(22)13-27(18)19)26-17(16)7-5-14-4-3-9-23-10-14;1-2-22-14(21)9-5-18-13(19-12(9)15)10-6-17-11-4-3-8(16)7-20(10)11;7-4-6-2-1-3-8-5-6/h3-4,6,8-13H,2,5,7H2,1H3;3-7H,2H2,1H3;1-3,5H,4,7H2
InChIKeyHGUFZXBDIXQMPK-UHFFFAOYSA-N
XLogP6.59
TPSA190.56 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500820.26
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate;pyridin-3-ylmethanamine with MolForge

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Related Compounds

PSJ-2510-up
CID 139095417
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CID 134533156
Ethyl 7-ethyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;2,2,2-trifluoroethyl 7-ethyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
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ethyl 4-[[(3S)-1-(2-cyanoacetyl)piperidin-3-yl]methyl]-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate
CID 160505193
Ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate
CID 158286596
Ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate
CID 158474717
ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate
CID 158528991
6-[2-[6-(Difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate
CID 134533161
Ethyl 2-amino-2-pyridin-2-ylacetate;ethyl 2-[[2-(2-fluorophenyl)acetyl]amino]-2-pyridin-2-ylacetate;ethyl 3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxylate;6-[3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-1,3,5-triazine-2,4-diamine
CID 158016377
Ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate;(5-fluoro-2-pyridinyl)methanamine
CID 158286595
ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate;(1S)-1-(5-fluoro-2-pyridinyl)ethanamine
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CID 158624914

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate;pyridin-3-ylmethanamine?
The IUPAC name of ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate;pyridin-3-ylmethanamine (CID 158474716) is ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate;pyridin-3-ylmethanamine.
What is the SMILES notation for ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate;pyridin-3-ylmethanamine?
The canonical SMILES for ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate;pyridin-3-ylmethanamine is CCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1CCc1cccnc1.CCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1Cl.NCc1cccnc1.
What is the InChIKey of ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate;pyridin-3-ylmethanamine?
The InChIKey is HGUFZXBDIXQMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2.C14H10ClFN4O2.C6H8N2/c1-2-29-21(28)16-11-25-20(18-12-24-19-8-6-15(22)13-27(18)19)26-17(16)7-5-14-4-3-9-23-10-14;1-2-22-14(21)9-5-18-13(19-12(9)15)10-6-17-11-4-3-8(16)7-20(10)11;7-4-6-2-1-3-8-5-6/h3-4,6,8-13H,2,5,7H2,1H3;3-7H,2H2,1H3;1-3,5H,4,7H2.
What are the key properties of ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate;pyridin-3-ylmethanamine?
ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate;pyridin-3-ylmethanamine has a molecular weight of 820.26 g/mol, XLogP of 6.59, 10 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate;pyridin-3-ylmethanamine is sourced from PubChem (CID 158474716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).