4-chloro-6-[3-[[4-[7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]methyl]pyrrolidin-1-yl]-2-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridine

C42H38ClF2N11 — CID 170011811

IUPAC4-chloro-6-[3-[[4-[7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]methyl]pyrrolidin-1-yl]-2-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridine
SMILESCc1cn2cc(-c3ccc4cc(N5CC(C)NC(CC6CCN(c7cnc8nc(-c9cc(F)c%10nn(C)cc%10c9)cc(Cl)c8c7)C6)C5)cnc4n3)cc(F)c2n1
InChIInChI=1S/C42H38ClF2N11/c1-23-17-55(31-10-26-4-5-37(50-40(26)46-15-31)28-12-36(45)42-49-24(2)18-56(42)21-28)22-30(48-23)8-25-6-7-54(19-25)32-13-33-34(43)14-38(51-41(33)47-16-32)27-9-29-20-53(3)52-39(29)35(44)11-27/h4-5,9-16,18,20-21,23,25,30,48H,6-8,17,19,22H2,1-3H3
InChIKeyJAWJJGYRURLASN-UHFFFAOYSA-N
MW770.29 g/mol
LogP7.76
Rot. Bonds6

About 4-chloro-6-[3-[[4-[7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]methyl]pyrrolidin-1-yl]-2-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridine

4-chloro-6-[3-[[4-[7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]methyl]pyrrolidin-1-yl]-2-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridine (PubChem CID 170011811) has the molecular formula C42H38ClF2N11 and a molecular weight of 770.29 g/mol. Its IUPAC name is 4-chloro-6-[3-[[4-[7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]methyl]pyrrolidin-1-yl]-2-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridine.

Molecular Properties

Compound Name4-chloro-6-[3-[[4-[7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]methyl]pyrrolidin-1-yl]-2-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridine
PubChem CID170011811
Molecular FormulaC42H38ClF2N11
Molecular Weight770.29 g/mol
Exact Mass769.30
IUPAC Name4-chloro-6-[3-[[4-[7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]methyl]pyrrolidin-1-yl]-2-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridine
SMILESCc1cn2cc(-c3ccc4cc(N5CC(C)NC(CC6CCN(c7cnc8nc(-c9cc(F)c%10nn(C)cc%10c9)cc(Cl)c8c7)C6)C5)cnc4n3)cc(F)c2n1
InChIInChI=1S/C42H38ClF2N11/c1-23-17-55(31-10-26-4-5-37(50-40(26)46-15-31)28-12-36(45)42-49-24(2)18-56(42)21-28)22-30(48-23)8-25-6-7-54(19-25)32-13-33-34(43)14-38(51-41(33)47-16-32)27-9-29-20-53(3)52-39(29)35(44)11-27/h4-5,9-16,18,20-21,23,25,30,48H,6-8,17,19,22H2,1-3H3
InChIKeyJAWJJGYRURLASN-UHFFFAOYSA-N
XLogP7.76
TPSA105.19 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500770.29
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 4-chloro-6-[3-[[4-[7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]methyl]pyrrolidin-1-yl]-2-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[3-[[4-[7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]methyl]pyrrolidin-1-yl]-2-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridine?
The IUPAC name of 4-chloro-6-[3-[[4-[7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]methyl]pyrrolidin-1-yl]-2-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridine (CID 170011811) is 4-chloro-6-[3-[[4-[7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]methyl]pyrrolidin-1-yl]-2-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridine.
What is the SMILES notation for 4-chloro-6-[3-[[4-[7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]methyl]pyrrolidin-1-yl]-2-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridine?
The canonical SMILES for 4-chloro-6-[3-[[4-[7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]methyl]pyrrolidin-1-yl]-2-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridine is Cc1cn2cc(-c3ccc4cc(N5CC(C)NC(CC6CCN(c7cnc8nc(-c9cc(F)c%10nn(C)cc%10c9)cc(Cl)c8c7)C6)C5)cnc4n3)cc(F)c2n1.
What is the InChIKey of 4-chloro-6-[3-[[4-[7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]methyl]pyrrolidin-1-yl]-2-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridine?
The InChIKey is JAWJJGYRURLASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38ClF2N11/c1-23-17-55(31-10-26-4-5-37(50-40(26)46-15-31)28-12-36(45)42-49-24(2)18-56(42)21-28)22-30(48-23)8-25-6-7-54(19-25)32-13-33-34(43)14-38(51-41(33)47-16-32)27-9-29-20-53(3)52-39(29)35(44)11-27/h4-5,9-16,18,20-21,23,25,30,48H,6-8,17,19,22H2,1-3H3.
What are the key properties of 4-chloro-6-[3-[[4-[7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]methyl]pyrrolidin-1-yl]-2-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridine?
4-chloro-6-[3-[[4-[7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]methyl]pyrrolidin-1-yl]-2-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridine has a molecular weight of 770.29 g/mol, XLogP of 7.76, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[3-[[4-[7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]methyl]pyrrolidin-1-yl]-2-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridine is sourced from PubChem (CID 170011811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).