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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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).