6-(1H-indazol-3-yl)-7-indolizin-1-yl-3-isoquinolin-1-yl-2-phthalazin-1-yl-5-(7H-purin-2-yl)-4-(4H-quinolizin-1-yl)-1-(9H-xanthen-9-yl)-2H-1,8-naphthyridine

C67H43N13O — CID 141266583

IUPAC6-(1H-indazol-3-yl)-7-indolizin-1-yl-3-isoquinolin-1-yl-2-phthalazin-1-yl-5-(7H-purin-2-yl)-4-(4H-quinolizin-1-yl)-1-(9H-xanthen-9-yl)-2H-1,8-naphthyridine
SMILESC1=CC2=C(C3=C(c4nccc5ccccc45)C(c4nncc5ccccc45)N(C4c5ccccc5Oc5ccccc54)c4nc(-c5ccn6ccccc56)c(-c5n[nH]c6ccccc56)c(-c5ncc6[nH]cnc6n5)c43)C=CCN2C=C1
InChIInChI=1S/C67H43N13O/c1-3-18-41-39(16-1)29-31-68-59(41)58-54(44-23-15-34-78-32-13-11-25-50(44)78)56-55(66-69-37-49-65(74-66)71-38-70-49)57(61-43-20-5-8-24-48(43)75-77-61)60(45-30-35-79-33-14-12-26-51(45)79)73-67(56)80(64(58)62-42-19-4-2-17-40(42)36-72-76-62)63-46-21-6-9-27-52(46)81-53-28-10-7-22-47(53)63/h1-33,35-38,63-64H,34H2,(H,75,77)(H,69,70,71,74)
InChIKeyYBLBXFRRIIXYIV-UHFFFAOYSA-N
MW1046.17 g/mol
LogP13.95
Rot. Bonds7

About 6-(1H-indazol-3-yl)-7-indolizin-1-yl-3-isoquinolin-1-yl-2-phthalazin-1-yl-5-(7H-purin-2-yl)-4-(4H-quinolizin-1-yl)-1-(9H-xanthen-9-yl)-2H-1,8-naphthyridine

6-(1H-indazol-3-yl)-7-indolizin-1-yl-3-isoquinolin-1-yl-2-phthalazin-1-yl-5-(7H-purin-2-yl)-4-(4H-quinolizin-1-yl)-1-(9H-xanthen-9-yl)-2H-1,8-naphthyridine (PubChem CID 141266583) has the molecular formula C67H43N13O and a molecular weight of 1046.17 g/mol. Its IUPAC name is 6-(1H-indazol-3-yl)-7-indolizin-1-yl-3-isoquinolin-1-yl-2-phthalazin-1-yl-5-(7H-purin-2-yl)-4-(4H-quinolizin-1-yl)-1-(9H-xanthen-9-yl)-2H-1,8-naphthyridine.

Molecular Properties

Compound Name6-(1H-indazol-3-yl)-7-indolizin-1-yl-3-isoquinolin-1-yl-2-phthalazin-1-yl-5-(7H-purin-2-yl)-4-(4H-quinolizin-1-yl)-1-(9H-xanthen-9-yl)-2H-1,8-naphthyridine
PubChem CID141266583
Molecular FormulaC67H43N13O
Molecular Weight1046.17 g/mol
Exact Mass1045.37
IUPAC Name6-(1H-indazol-3-yl)-7-indolizin-1-yl-3-isoquinolin-1-yl-2-phthalazin-1-yl-5-(7H-purin-2-yl)-4-(4H-quinolizin-1-yl)-1-(9H-xanthen-9-yl)-2H-1,8-naphthyridine
SMILESC1=CC2=C(C3=C(c4nccc5ccccc45)C(c4nncc5ccccc45)N(C4c5ccccc5Oc5ccccc54)c4nc(-c5ccn6ccccc56)c(-c5n[nH]c6ccccc56)c(-c5ncc6[nH]cnc6n5)c43)C=CCN2C=C1
InChIInChI=1S/C67H43N13O/c1-3-18-41-39(16-1)29-31-68-59(41)58-54(44-23-15-34-78-32-13-11-25-50(44)78)56-55(66-69-37-49-65(74-66)71-38-70-49)57(61-43-20-5-8-24-48(43)75-77-61)60(45-30-35-79-33-14-12-26-51(45)79)73-67(56)80(64(58)62-42-19-4-2-17-40(42)36-72-76-62)63-46-21-6-9-27-52(46)81-53-28-10-7-22-47(53)63/h1-33,35-38,63-64H,34H2,(H,75,77)(H,69,70,71,74)
InChIKeyYBLBXFRRIIXYIV-UHFFFAOYSA-N
XLogP13.95
TPSA154.82 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001046.17
LogP ≤ 513.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 6-(1H-indazol-3-yl)-7-indolizin-1-yl-3-isoquinolin-1-yl-2-phthalazin-1-yl-5-(7H-purin-2-yl)-4-(4H-quinolizin-1-yl)-1-(9H-xanthen-9-yl)-2H-1,8-naphthyridine with MolForge

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Related Compounds

Migoprotafib
CID 139512018
7-[[1-[[3-(2,3-dihydro-1H-isoindol-4-yloxy)phenyl]methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649682
US10934302, Example 161
CID 149298573
3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137038732
US10934302, Example 54
CID 156119546
7-[5-[(2-Ethyl-4-piperazin-1-ylquinolin-7-yl)oxymethyl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304015
N-[7-[[5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-2-ethylquinolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 156304112
(3R)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine;hydrochloride
CID 172454678
US10934302, Example 118
CID 139512070
[4-methyl-1-[3-[5-(3-phenoxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine
CID 146641705
US10934302, Example 60
CID 156119552
(3R)-8'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[3H-1-benzofuran-2,3'-8-azabicyclo[3.2.1]octane]-3-amine
CID 172449510

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indazol-3-yl)-7-indolizin-1-yl-3-isoquinolin-1-yl-2-phthalazin-1-yl-5-(7H-purin-2-yl)-4-(4H-quinolizin-1-yl)-1-(9H-xanthen-9-yl)-2H-1,8-naphthyridine?
The IUPAC name of 6-(1H-indazol-3-yl)-7-indolizin-1-yl-3-isoquinolin-1-yl-2-phthalazin-1-yl-5-(7H-purin-2-yl)-4-(4H-quinolizin-1-yl)-1-(9H-xanthen-9-yl)-2H-1,8-naphthyridine (CID 141266583) is 6-(1H-indazol-3-yl)-7-indolizin-1-yl-3-isoquinolin-1-yl-2-phthalazin-1-yl-5-(7H-purin-2-yl)-4-(4H-quinolizin-1-yl)-1-(9H-xanthen-9-yl)-2H-1,8-naphthyridine.
What is the SMILES notation for 6-(1H-indazol-3-yl)-7-indolizin-1-yl-3-isoquinolin-1-yl-2-phthalazin-1-yl-5-(7H-purin-2-yl)-4-(4H-quinolizin-1-yl)-1-(9H-xanthen-9-yl)-2H-1,8-naphthyridine?
The canonical SMILES for 6-(1H-indazol-3-yl)-7-indolizin-1-yl-3-isoquinolin-1-yl-2-phthalazin-1-yl-5-(7H-purin-2-yl)-4-(4H-quinolizin-1-yl)-1-(9H-xanthen-9-yl)-2H-1,8-naphthyridine is C1=CC2=C(C3=C(c4nccc5ccccc45)C(c4nncc5ccccc45)N(C4c5ccccc5Oc5ccccc54)c4nc(-c5ccn6ccccc56)c(-c5n[nH]c6ccccc56)c(-c5ncc6[nH]cnc6n5)c43)C=CCN2C=C1.
What is the InChIKey of 6-(1H-indazol-3-yl)-7-indolizin-1-yl-3-isoquinolin-1-yl-2-phthalazin-1-yl-5-(7H-purin-2-yl)-4-(4H-quinolizin-1-yl)-1-(9H-xanthen-9-yl)-2H-1,8-naphthyridine?
The InChIKey is YBLBXFRRIIXYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43N13O/c1-3-18-41-39(16-1)29-31-68-59(41)58-54(44-23-15-34-78-32-13-11-25-50(44)78)56-55(66-69-37-49-65(74-66)71-38-70-49)57(61-43-20-5-8-24-48(43)75-77-61)60(45-30-35-79-33-14-12-26-51(45)79)73-67(56)80(64(58)62-42-19-4-2-17-40(42)36-72-76-62)63-46-21-6-9-27-52(46)81-53-28-10-7-22-47(53)63/h1-33,35-38,63-64H,34H2,(H,75,77)(H,69,70,71,74).
What are the key properties of 6-(1H-indazol-3-yl)-7-indolizin-1-yl-3-isoquinolin-1-yl-2-phthalazin-1-yl-5-(7H-purin-2-yl)-4-(4H-quinolizin-1-yl)-1-(9H-xanthen-9-yl)-2H-1,8-naphthyridine?
6-(1H-indazol-3-yl)-7-indolizin-1-yl-3-isoquinolin-1-yl-2-phthalazin-1-yl-5-(7H-purin-2-yl)-4-(4H-quinolizin-1-yl)-1-(9H-xanthen-9-yl)-2H-1,8-naphthyridine has a molecular weight of 1046.17 g/mol, XLogP of 13.95, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-3-yl)-7-indolizin-1-yl-3-isoquinolin-1-yl-2-phthalazin-1-yl-5-(7H-purin-2-yl)-4-(4H-quinolizin-1-yl)-1-(9H-xanthen-9-yl)-2H-1,8-naphthyridine is sourced from PubChem (CID 141266583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).