3-(1H-indazol-3-yl)-6-indolizin-1-yl-4-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-7-thiophen-2-ylisoquinoline

C49H30N10S — CID 140971019

IUPAC3-(1H-indazol-3-yl)-6-indolizin-1-yl-4-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-7-thiophen-2-ylisoquinoline
SMILESc1csc(-c2cc3c(-c4ncc5[nH]cnc5n4)nc(-c4n[nH]c5ccccc45)c(-c4cc5ccccc5[nH]4)c3c(-c3[nH]cc4ccccc34)c2-c2ccn3ccccc23)c1
InChIInChI=1S/C49H30N10S/c1-3-12-29-28(11-1)24-50-44(29)43-40(31-18-20-59-19-8-7-16-38(31)59)32(39-17-9-21-60-39)23-33-41(43)42(36-22-27-10-2-5-14-34(27)54-36)47(45-30-13-4-6-15-35(30)57-58-45)55-46(33)49-51-25-37-48(56-49)53-26-52-37/h1-26,50,54H,(H,57,58)(H,51,52,53,56)
InChIKeyBNHJVLYAAYHSQH-UHFFFAOYSA-N
MW790.92 g/mol
LogP12.06
Rot. Bonds6

About 3-(1H-indazol-3-yl)-6-indolizin-1-yl-4-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-7-thiophen-2-ylisoquinoline

3-(1H-indazol-3-yl)-6-indolizin-1-yl-4-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-7-thiophen-2-ylisoquinoline (PubChem CID 140971019) has the molecular formula C49H30N10S and a molecular weight of 790.92 g/mol. Its IUPAC name is 3-(1H-indazol-3-yl)-6-indolizin-1-yl-4-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-7-thiophen-2-ylisoquinoline.

Molecular Properties

Compound Name3-(1H-indazol-3-yl)-6-indolizin-1-yl-4-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-7-thiophen-2-ylisoquinoline
PubChem CID140971019
Molecular FormulaC49H30N10S
Molecular Weight790.92 g/mol
Exact Mass790.24
IUPAC Name3-(1H-indazol-3-yl)-6-indolizin-1-yl-4-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-7-thiophen-2-ylisoquinoline
SMILESc1csc(-c2cc3c(-c4ncc5[nH]cnc5n4)nc(-c4n[nH]c5ccccc45)c(-c4cc5ccccc5[nH]4)c3c(-c3[nH]cc4ccccc34)c2-c2ccn3ccccc23)c1
InChIInChI=1S/C49H30N10S/c1-3-12-29-28(11-1)24-50-44(29)43-40(31-18-20-59-19-8-7-16-38(31)59)32(39-17-9-21-60-39)23-33-41(43)42(36-22-27-10-2-5-14-34(27)54-36)47(45-30-13-4-6-15-35(30)57-58-45)55-46(33)49-51-25-37-48(56-49)53-26-52-37/h1-26,50,54H,(H,57,58)(H,51,52,53,56)
InChIKeyBNHJVLYAAYHSQH-UHFFFAOYSA-N
XLogP12.06
TPSA132.02 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.92
LogP ≤ 512.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-(1H-indazol-3-yl)-6-indolizin-1-yl-4-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-7-thiophen-2-ylisoquinoline with MolForge

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

Launch Full Analysis

Related Compounds

5-imidazo[1,5-a]pyridin-1-yl-4-imidazo[1,2-a]pyrimidin-2-yl-3-(1H-indazol-3-yl)-1-(1H-indol-2-yl)isoquinoline
CID 141166590
3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole
CID 55111523
2-[7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-4-isoquinolin-1-yl-8-(7H-purin-2-yl)-4-pyridin-2-yl-1-quinolin-2-yl-3H-phthalazin-5-yl]-1,3-benzothiazole
CID 141196526
2-(1H-indazol-3-yl)quinazoline
CID 154276744
2-[5-(1H-indazol-3-yl)-2-(1H-indol-2-yl)-1H-imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine
CID 141368891
3-[4-(1H-indazol-3-yl)-1-(7H-purin-2-yl)-5-(1H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-6-(1H-triazol-4-yl)-9H-carbazol-3-yl]-1,2,4-thiadiazole
CID 141175822
7-(1H-indol-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 10198842
5-piperidin-4-yl-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 136943095
7-(1H-benzimidazol-2-yl)-6-(1H-benzotriazol-4-yl)-2-isoquinolin-1-yl-4-(7H-purin-2-yl)-3-quinolin-2-yl-1,5-naphthyridine
CID 141329829
2-(5-pyridin-2-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine
CID 136936944
2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 136937569
N-[5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137280393

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-3-yl)-6-indolizin-1-yl-4-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-7-thiophen-2-ylisoquinoline?
The IUPAC name of 3-(1H-indazol-3-yl)-6-indolizin-1-yl-4-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-7-thiophen-2-ylisoquinoline (CID 140971019) is 3-(1H-indazol-3-yl)-6-indolizin-1-yl-4-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-7-thiophen-2-ylisoquinoline.
What is the SMILES notation for 3-(1H-indazol-3-yl)-6-indolizin-1-yl-4-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-7-thiophen-2-ylisoquinoline?
The canonical SMILES for 3-(1H-indazol-3-yl)-6-indolizin-1-yl-4-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-7-thiophen-2-ylisoquinoline is c1csc(-c2cc3c(-c4ncc5[nH]cnc5n4)nc(-c4n[nH]c5ccccc45)c(-c4cc5ccccc5[nH]4)c3c(-c3[nH]cc4ccccc34)c2-c2ccn3ccccc23)c1.
What is the InChIKey of 3-(1H-indazol-3-yl)-6-indolizin-1-yl-4-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-7-thiophen-2-ylisoquinoline?
The InChIKey is BNHJVLYAAYHSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N10S/c1-3-12-29-28(11-1)24-50-44(29)43-40(31-18-20-59-19-8-7-16-38(31)59)32(39-17-9-21-60-39)23-33-41(43)42(36-22-27-10-2-5-14-34(27)54-36)47(45-30-13-4-6-15-35(30)57-58-45)55-46(33)49-51-25-37-48(56-49)53-26-52-37/h1-26,50,54H,(H,57,58)(H,51,52,53,56).
What are the key properties of 3-(1H-indazol-3-yl)-6-indolizin-1-yl-4-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-7-thiophen-2-ylisoquinoline?
3-(1H-indazol-3-yl)-6-indolizin-1-yl-4-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-7-thiophen-2-ylisoquinoline has a molecular weight of 790.92 g/mol, XLogP of 12.06, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-3-yl)-6-indolizin-1-yl-4-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-7-thiophen-2-ylisoquinoline is sourced from PubChem (CID 140971019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).