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

C43H38ClF4N11O4 — CID 158528990

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-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate;(1S)-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESCCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1C[C@@H](C)c1ccc(F)cn1.CCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1Cl.C[C@H](N)c1ccc(F)cn1
InChIInChI=1S/C22H19F2N5O2.C14H10ClFN4O2.C7H9FN2/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;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;1-5(9)7-3-2-6(8)4-10-7/h4-7,9-13H,3,8H2,1-2H3;3-7H,2H2,1H3;2-5H,9H2,1H3/t13-;;5-/m1.0/s1
InChIKeyHNDDAEDBZXVDMH-XDIBGVEVSA-N
MW884.29 g/mol
LogP7.99
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-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate;(1S)-1-(5-fluoro-2-pyridinyl)ethanamine

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 (PubChem CID 158528990) has the molecular formula C43H38ClF4N11O4 and a molecular weight of 884.29 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-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate;(1S)-1-(5-fluoro-2-pyridinyl)ethanamine.

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-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate;(1S)-1-(5-fluoro-2-pyridinyl)ethanamine
PubChem CID158528990
Molecular FormulaC43H38ClF4N11O4
Molecular Weight884.29 g/mol
Exact Mass883.27
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-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate;(1S)-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESCCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1C[C@@H](C)c1ccc(F)cn1.CCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1Cl.C[C@H](N)c1ccc(F)cn1
InChIInChI=1S/C22H19F2N5O2.C14H10ClFN4O2.C7H9FN2/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;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;1-5(9)7-3-2-6(8)4-10-7/h4-7,9-13H,3,8H2,1-2H3;3-7H,2H2,1H3;2-5H,9H2,1H3/t13-;;5-/m1.0/s1
InChIKeyHNDDAEDBZXVDMH-XDIBGVEVSA-N
XLogP7.99
TPSA190.56 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500884.29
LogP ≤ 57.99
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-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate;(1S)-1-(5-fluoro-2-pyridinyl)ethanamine with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-chloro-2-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate
CID 163718815
ethyl 4-chloro-2-(4-methylphenyl)pyrimidine-5-carboxylate
CID 82169020
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxamide
CID 67257229
ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1,4-dihydropyrimidine-5-carboxylate
CID 123386943
ethyl 4-chloro-2-(4-methyl-2-pyridinyl)pyrimidine-5-carboxylate
CID 114213771
3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(1R)-1-pyridin-2-ylethyl]pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1R)-1-pyridin-2-ylethyl]pyrimidine-4,5-diamine;(1R)-1-pyridin-2-ylethanamine
CID 161460504
ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 3932782
ethyl 4-chloro-2-(4-fluoro-3-methoxyphenyl)pyrimidine-5-carboxylate
CID 59777590
ethane;ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate
CID 142985875
(3R)-3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]butanamide
CID 67124089
ethyl 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-fluorobenzoate
CID 22032276
ethyl 4-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]amino]cyclohexane-1-carboxylate
CID 67123862

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-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate;(1S)-1-(5-fluoro-2-pyridinyl)ethanamine?
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-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate;(1S)-1-(5-fluoro-2-pyridinyl)ethanamine (CID 158528990) 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-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate;(1S)-1-(5-fluoro-2-pyridinyl)ethanamine.
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-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate;(1S)-1-(5-fluoro-2-pyridinyl)ethanamine?
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-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate;(1S)-1-(5-fluoro-2-pyridinyl)ethanamine is CCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1C[C@@H](C)c1ccc(F)cn1.CCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1Cl.C[C@H](N)c1ccc(F)cn1.
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-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate;(1S)-1-(5-fluoro-2-pyridinyl)ethanamine?
The InChIKey is HNDDAEDBZXVDMH-XDIBGVEVSA-N. The full InChI is InChI=1S/C22H19F2N5O2.C14H10ClFN4O2.C7H9FN2/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;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;1-5(9)7-3-2-6(8)4-10-7/h4-7,9-13H,3,8H2,1-2H3;3-7H,2H2,1H3;2-5H,9H2,1H3/t13-;;5-/m1.0/s1.
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-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate;(1S)-1-(5-fluoro-2-pyridinyl)ethanamine?
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 has a molecular weight of 884.29 g/mol, XLogP of 7.99, 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-[(2R)-2-(5-fluoro-2-pyridinyl)propyl]pyrimidine-5-carboxylate;(1S)-1-(5-fluoro-2-pyridinyl)ethanamine is sourced from PubChem (CID 158528990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).