1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]indole-6-carboxylic acid;1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]-N-pyridazin-3-ylindole-6-carboxamide;pyridazin-3-amine

C62H64N10O5 — CID 159313026

IUPAC1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]indole-6-carboxylic acid;1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]-N-pyridazin-3-ylindole-6-carboxamide;pyridazin-3-amine
SMILESCC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1cn(C)c2cc(C(=O)Nc3cccnn3)ccc12.CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1cn(C)c2cc(C(=O)O)ccc12.Nc1cccnn1
InChIInChI=1S/C31H31N5O2.C27H28N2O3.C4H5N3/c1-21(2)31(3,23-11-13-25(14-12-23)38-20-24-8-5-6-16-32-24)27-19-36(4)28-18-22(10-15-26(27)28)30(37)34-29-9-7-17-33-35-29;1-18(2)27(3,24-16-29(4)25-15-19(26(30)31)8-13-23(24)25)20-9-11-22(12-10-20)32-17-21-7-5-6-14-28-21;5-4-2-1-3-6-7-4/h5-19,21H,20H2,1-4H3,(H,34,35,37);5-16,18H,17H2,1-4H3,(H,30,31);1-3H,(H2,5,7)
InChIKeyLCUBVCDTZZBPQQ-UHFFFAOYSA-N
MW1029.26 g/mol
LogP12.03
Rot. Bonds15

About 1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]indole-6-carboxylic acid;1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]-N-pyridazin-3-ylindole-6-carboxamide;pyridazin-3-amine

1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]indole-6-carboxylic acid;1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]-N-pyridazin-3-ylindole-6-carboxamide;pyridazin-3-amine (PubChem CID 159313026) has the molecular formula C62H64N10O5 and a molecular weight of 1029.26 g/mol. Its IUPAC name is 1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]indole-6-carboxylic acid;1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]-N-pyridazin-3-ylindole-6-carboxamide;pyridazin-3-amine.

Molecular Properties

Compound Name1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]indole-6-carboxylic acid;1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]-N-pyridazin-3-ylindole-6-carboxamide;pyridazin-3-amine
PubChem CID159313026
Molecular FormulaC62H64N10O5
Molecular Weight1029.26 g/mol
Exact Mass1028.51
IUPAC Name1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]indole-6-carboxylic acid;1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]-N-pyridazin-3-ylindole-6-carboxamide;pyridazin-3-amine
SMILESCC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1cn(C)c2cc(C(=O)Nc3cccnn3)ccc12.CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1cn(C)c2cc(C(=O)O)ccc12.Nc1cccnn1
InChIInChI=1S/C31H31N5O2.C27H28N2O3.C4H5N3/c1-21(2)31(3,23-11-13-25(14-12-23)38-20-24-8-5-6-16-32-24)27-19-36(4)28-18-22(10-15-26(27)28)30(37)34-29-9-7-17-33-35-29;1-18(2)27(3,24-16-29(4)25-15-19(26(30)31)8-13-23(24)25)20-9-11-22(12-10-20)32-17-21-7-5-6-14-28-21;5-4-2-1-3-6-7-4/h5-19,21H,20H2,1-4H3,(H,34,35,37);5-16,18H,17H2,1-4H3,(H,30,31);1-3H,(H2,5,7)
InChIKeyLCUBVCDTZZBPQQ-UHFFFAOYSA-N
XLogP12.03
TPSA198.08 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001029.26
LogP ≤ 512.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]indole-6-carboxylic acid;1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]-N-pyridazin-3-ylindole-6-carboxamide;pyridazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]indole-6-carboxylic acid;1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]-N-pyridazin-3-ylindole-6-carboxamide;pyridazin-3-amine?
The IUPAC name of 1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]indole-6-carboxylic acid;1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]-N-pyridazin-3-ylindole-6-carboxamide;pyridazin-3-amine (CID 159313026) is 1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]indole-6-carboxylic acid;1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]-N-pyridazin-3-ylindole-6-carboxamide;pyridazin-3-amine.
What is the SMILES notation for 1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]indole-6-carboxylic acid;1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]-N-pyridazin-3-ylindole-6-carboxamide;pyridazin-3-amine?
The canonical SMILES for 1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]indole-6-carboxylic acid;1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]-N-pyridazin-3-ylindole-6-carboxamide;pyridazin-3-amine is CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1cn(C)c2cc(C(=O)Nc3cccnn3)ccc12.CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1cn(C)c2cc(C(=O)O)ccc12.Nc1cccnn1.
What is the InChIKey of 1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]indole-6-carboxylic acid;1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]-N-pyridazin-3-ylindole-6-carboxamide;pyridazin-3-amine?
The InChIKey is LCUBVCDTZZBPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O2.C27H28N2O3.C4H5N3/c1-21(2)31(3,23-11-13-25(14-12-23)38-20-24-8-5-6-16-32-24)27-19-36(4)28-18-22(10-15-26(27)28)30(37)34-29-9-7-17-33-35-29;1-18(2)27(3,24-16-29(4)25-15-19(26(30)31)8-13-23(24)25)20-9-11-22(12-10-20)32-17-21-7-5-6-14-28-21;5-4-2-1-3-6-7-4/h5-19,21H,20H2,1-4H3,(H,34,35,37);5-16,18H,17H2,1-4H3,(H,30,31);1-3H,(H2,5,7).
What are the key properties of 1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]indole-6-carboxylic acid;1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]-N-pyridazin-3-ylindole-6-carboxamide;pyridazin-3-amine?
1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]indole-6-carboxylic acid;1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]-N-pyridazin-3-ylindole-6-carboxamide;pyridazin-3-amine has a molecular weight of 1029.26 g/mol, XLogP of 12.03, 15 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]indole-6-carboxylic acid;1-methyl-3-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]-N-pyridazin-3-ylindole-6-carboxamide;pyridazin-3-amine is sourced from PubChem (CID 159313026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).