1-[6-[3-amino-3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propyl]-2-pyridinyl]-6-[6-(1-aminoethyl)-2-pyridinyl]indazole-4-carbonitrile

C42H34N12 — CID 130249582

IUPAC1-[6-[3-amino-3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propyl]-2-pyridinyl]-6-[6-(1-aminoethyl)-2-pyridinyl]indazole-4-carbonitrile
SMILESCc1cccc(-n2cc3c(C#N)cc(-c4cccc(C(N)CCc5cccc(-n6ncc7c(C#N)cc(-c8cccc(C(C)N)n8)cc76)n5)n4)cc3n2)n1
InChIInChI=1S/C42H34N12/c1-25-7-3-13-41(48-25)53-24-33-30(22-44)17-27(19-39(33)52-53)36-11-6-12-38(51-36)34(46)16-15-31-8-4-14-42(49-31)54-40-20-28(18-29(21-43)32(40)23-47-54)37-10-5-9-35(50-37)26(2)45/h3-14,17-20,23-24,26,34H,15-16,45-46H2,1-2H3
InChIKeyLOYRVNZFFZHEQP-UHFFFAOYSA-N
MW706.82 g/mol
LogP6.98
Rot. Bonds9

About 1-[6-[3-amino-3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propyl]-2-pyridinyl]-6-[6-(1-aminoethyl)-2-pyridinyl]indazole-4-carbonitrile

1-[6-[3-amino-3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propyl]-2-pyridinyl]-6-[6-(1-aminoethyl)-2-pyridinyl]indazole-4-carbonitrile (PubChem CID 130249582) has the molecular formula C42H34N12 and a molecular weight of 706.82 g/mol. Its IUPAC name is 1-[6-[3-amino-3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propyl]-2-pyridinyl]-6-[6-(1-aminoethyl)-2-pyridinyl]indazole-4-carbonitrile.

Molecular Properties

Compound Name1-[6-[3-amino-3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propyl]-2-pyridinyl]-6-[6-(1-aminoethyl)-2-pyridinyl]indazole-4-carbonitrile
PubChem CID130249582
Molecular FormulaC42H34N12
Molecular Weight706.82 g/mol
Exact Mass706.30
IUPAC Name1-[6-[3-amino-3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propyl]-2-pyridinyl]-6-[6-(1-aminoethyl)-2-pyridinyl]indazole-4-carbonitrile
SMILESCc1cccc(-n2cc3c(C#N)cc(-c4cccc(C(N)CCc5cccc(-n6ncc7c(C#N)cc(-c8cccc(C(C)N)n8)cc76)n5)n4)cc3n2)n1
InChIInChI=1S/C42H34N12/c1-25-7-3-13-41(48-25)53-24-33-30(22-44)17-27(19-39(33)52-53)36-11-6-12-38(51-36)34(46)16-15-31-8-4-14-42(49-31)54-40-20-28(18-29(21-43)32(40)23-47-54)37-10-5-9-35(50-37)26(2)45/h3-14,17-20,23-24,26,34H,15-16,45-46H2,1-2H3
InChIKeyLOYRVNZFFZHEQP-UHFFFAOYSA-N
XLogP6.98
TPSA186.82 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500706.82
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 1-[6-[3-amino-3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propyl]-2-pyridinyl]-6-[6-(1-aminoethyl)-2-pyridinyl]indazole-4-carbonitrile with MolForge

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Related Compounds

(1S,4S)-2-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane
CID 49836968
(1S,4S)-2-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-3-fluorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane
CID 49837087
7-[4-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837197
7-[2-[5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]ethyl]-N-methylquinolin-2-amine
CID 156296281
8-[6-[6-(6-Methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,8-diazaspiro[4.5]decane
CID 72714387
(3R)-1-[6-[6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine
CID 72715047
6-(1-ethylpyrazol-4-yl)-1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine
CID 72715213
(3S)-1-[6-[6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine
CID 72715289
(R)-6-(1-ethyl-1H-pyrazol-4-yl)-1-(6-(3-ethylpiperazin-1-yl)pyridin-2-yl)-1H-pyrazolo[4,3-c]pyridine
CID 72715377
6-[1-[6-(1-Piperazinyl)-2-pyridinyl]-1H-pyrazolo[4,3-c]pyridin-6-yl]-2-pyrazinecarbonitrile
CID 72715617
6-(5-ethylpyridin-3-yl)-1-(6-(piperazin-1-yl)pyridin-2-yl)-1H-pyrazolo[4,3-c]pyridine
CID 86707017
(3S)-1-[6-[6-(5-isopropyl-3-pyridyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridyl]piperidin-3-amine
CID 86707024

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-amino-3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propyl]-2-pyridinyl]-6-[6-(1-aminoethyl)-2-pyridinyl]indazole-4-carbonitrile?
The IUPAC name of 1-[6-[3-amino-3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propyl]-2-pyridinyl]-6-[6-(1-aminoethyl)-2-pyridinyl]indazole-4-carbonitrile (CID 130249582) is 1-[6-[3-amino-3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propyl]-2-pyridinyl]-6-[6-(1-aminoethyl)-2-pyridinyl]indazole-4-carbonitrile.
What is the SMILES notation for 1-[6-[3-amino-3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propyl]-2-pyridinyl]-6-[6-(1-aminoethyl)-2-pyridinyl]indazole-4-carbonitrile?
The canonical SMILES for 1-[6-[3-amino-3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propyl]-2-pyridinyl]-6-[6-(1-aminoethyl)-2-pyridinyl]indazole-4-carbonitrile is Cc1cccc(-n2cc3c(C#N)cc(-c4cccc(C(N)CCc5cccc(-n6ncc7c(C#N)cc(-c8cccc(C(C)N)n8)cc76)n5)n4)cc3n2)n1.
What is the InChIKey of 1-[6-[3-amino-3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propyl]-2-pyridinyl]-6-[6-(1-aminoethyl)-2-pyridinyl]indazole-4-carbonitrile?
The InChIKey is LOYRVNZFFZHEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N12/c1-25-7-3-13-41(48-25)53-24-33-30(22-44)17-27(19-39(33)52-53)36-11-6-12-38(51-36)34(46)16-15-31-8-4-14-42(49-31)54-40-20-28(18-29(21-43)32(40)23-47-54)37-10-5-9-35(50-37)26(2)45/h3-14,17-20,23-24,26,34H,15-16,45-46H2,1-2H3.
What are the key properties of 1-[6-[3-amino-3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propyl]-2-pyridinyl]-6-[6-(1-aminoethyl)-2-pyridinyl]indazole-4-carbonitrile?
1-[6-[3-amino-3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propyl]-2-pyridinyl]-6-[6-(1-aminoethyl)-2-pyridinyl]indazole-4-carbonitrile has a molecular weight of 706.82 g/mol, XLogP of 6.98, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-amino-3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propyl]-2-pyridinyl]-6-[6-(1-aminoethyl)-2-pyridinyl]indazole-4-carbonitrile is sourced from PubChem (CID 130249582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).