2-[[5-[4-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine

C27H25FN8OS — CID 145248957

IUPAC2-[[5-[4-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cncc(-c2ccc3c(n2)C(c2nc4c(-c5ccc(F)s5)cncc4[nH]2)=NCN3C)c1
InChIInChI=1S/C27H25FN8OS/c1-35(2)8-9-37-17-10-16(11-29-12-17)19-4-5-21-25(32-19)26(31-15-36(21)3)27-33-20-14-30-13-18(24(20)34-27)22-6-7-23(28)38-22/h4-7,10-14H,8-9,15H2,1-3H3,(H,33,34)
InChIKeyGQSZOTQRZUBNTD-UHFFFAOYSA-N
MW528.62 g/mol
LogP4.47
Rot. Bonds7

About 2-[[5-[4-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine

2-[[5-[4-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine (PubChem CID 145248957) has the molecular formula C27H25FN8OS and a molecular weight of 528.62 g/mol. Its IUPAC name is 2-[[5-[4-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[[5-[4-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
PubChem CID145248957
Molecular FormulaC27H25FN8OS
Molecular Weight528.62 g/mol
Exact Mass528.19
IUPAC Name2-[[5-[4-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cncc(-c2ccc3c(n2)C(c2nc4c(-c5ccc(F)s5)cncc4[nH]2)=NCN3C)c1
InChIInChI=1S/C27H25FN8OS/c1-35(2)8-9-37-17-10-16(11-29-12-17)19-4-5-21-25(32-19)26(31-15-36(21)3)27-33-20-14-30-13-18(24(20)34-27)22-6-7-23(28)38-22/h4-7,10-14H,8-9,15H2,1-3H3,(H,33,34)
InChIKeyGQSZOTQRZUBNTD-UHFFFAOYSA-N
XLogP4.47
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.62
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[[5-[4-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine with MolForge

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Related Compounds

(3R,5S)-5-{2-[4-({6-[(3-fluorophenyl)methoxy]pyridin-3-yl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrrolidin-3-yl morpholine-4-carboxylate
CID 25263248
2-(phenoxymethyl)-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 23025793
2-[[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 137054927
2-[(4-fluorophenoxy)methyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 155540446
2-(phenoxymethyl)-6-(3-propan-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine
CID 155548368
7-methoxy-N-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 57691156
US9868738, Example 39
CID 118974621
5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137038094
3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137038935
3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137042093
N,N-dimethyl-2-[[5-[3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine
CID 137087491
3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137109858

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[[5-[4-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine (CID 145248957) is 2-[[5-[4-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[[5-[4-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[[5-[4-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine is CN(C)CCOc1cncc(-c2ccc3c(n2)C(c2nc4c(-c5ccc(F)s5)cncc4[nH]2)=NCN3C)c1.
What is the InChIKey of 2-[[5-[4-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine?
The InChIKey is GQSZOTQRZUBNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN8OS/c1-35(2)8-9-37-17-10-16(11-29-12-17)19-4-5-21-25(32-19)26(31-15-36(21)3)27-33-20-14-30-13-18(24(20)34-27)22-6-7-23(28)38-22/h4-7,10-14H,8-9,15H2,1-3H3,(H,33,34).
What are the key properties of 2-[[5-[4-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine?
2-[[5-[4-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine has a molecular weight of 528.62 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine is sourced from PubChem (CID 145248957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).