4-[6-amino-2-(1H-indazol-6-yl)purin-9-yl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide

C26H26N8O2 — CID 134214701

IUPAC4-[6-amino-2-(1H-indazol-6-yl)purin-9-yl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1cccc(NC(=O)C2CCC(n3cnc4c(N)nc(-c5ccc6cn[nH]c6c5)nc43)CC2)c1
InChIInChI=1S/C26H26N8O2/c1-36-20-4-2-3-18(12-20)30-26(35)15-7-9-19(10-8-15)34-14-28-22-23(27)31-24(32-25(22)34)16-5-6-17-13-29-33-21(17)11-16/h2-6,11-15,19H,7-10H2,1H3,(H,29,33)(H,30,35)(H2,27,31,32)
InChIKeyALCDWWSQNUKESD-UHFFFAOYSA-N
MW482.55 g/mol
LogP4.33
Rot. Bonds5

About 4-[6-amino-2-(1H-indazol-6-yl)purin-9-yl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide

4-[6-amino-2-(1H-indazol-6-yl)purin-9-yl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 134214701) has the molecular formula C26H26N8O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is 4-[6-amino-2-(1H-indazol-6-yl)purin-9-yl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[6-amino-2-(1H-indazol-6-yl)purin-9-yl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
PubChem CID134214701
Molecular FormulaC26H26N8O2
Molecular Weight482.55 g/mol
Exact Mass482.22
IUPAC Name4-[6-amino-2-(1H-indazol-6-yl)purin-9-yl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1cccc(NC(=O)C2CCC(n3cnc4c(N)nc(-c5ccc6cn[nH]c6c5)nc43)CC2)c1
InChIInChI=1S/C26H26N8O2/c1-36-20-4-2-3-18(12-20)30-26(35)15-7-9-19(10-8-15)34-14-28-22-23(27)31-24(32-25(22)34)16-5-6-17-13-29-33-21(17)11-16/h2-6,11-15,19H,7-10H2,1H3,(H,29,33)(H,30,35)(H2,27,31,32)
InChIKeyALCDWWSQNUKESD-UHFFFAOYSA-N
XLogP4.33
TPSA136.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-~{N}-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 134214787
6-(1H-indazol-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473640
N-benzyl-4-[(6-methoxy-1H-indazol-5-yl)amino]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-6-carboxamide
CID 72549494
US11866405, Example 22
CID 163396268
6-(1H-indazol-4-yl)-N-(3-methoxyphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 44181707
3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(1H-pyrazol-4-yl)phenyl]benzamide
CID 44189445
1-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl)phenyl)-3-(3-methoxyphenyl)urea
CID 44587583
2-(4-methoxyphenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 53320947
6-(1H-indazol-6-yl)-N-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473155
6-(1H-indazol-6-yl)-N-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473273
N-(3,4-dimethoxyphenyl)-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 59473380
N-(3,4-dimethoxyphenyl)-6-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-amine
CID 59473411

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-2-(1H-indazol-6-yl)purin-9-yl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-[6-amino-2-(1H-indazol-6-yl)purin-9-yl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide (CID 134214701) is 4-[6-amino-2-(1H-indazol-6-yl)purin-9-yl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[6-amino-2-(1H-indazol-6-yl)purin-9-yl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-[6-amino-2-(1H-indazol-6-yl)purin-9-yl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide is COc1cccc(NC(=O)C2CCC(n3cnc4c(N)nc(-c5ccc6cn[nH]c6c5)nc43)CC2)c1.
What is the InChIKey of 4-[6-amino-2-(1H-indazol-6-yl)purin-9-yl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is ALCDWWSQNUKESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O2/c1-36-20-4-2-3-18(12-20)30-26(35)15-7-9-19(10-8-15)34-14-28-22-23(27)31-24(32-25(22)34)16-5-6-17-13-29-33-21(17)11-16/h2-6,11-15,19H,7-10H2,1H3,(H,29,33)(H,30,35)(H2,27,31,32).
What are the key properties of 4-[6-amino-2-(1H-indazol-6-yl)purin-9-yl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide?
4-[6-amino-2-(1H-indazol-6-yl)purin-9-yl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 482.55 g/mol, XLogP of 4.33, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-2-(1H-indazol-6-yl)purin-9-yl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 134214701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).