N-[(4-methoxyphenyl)methyl]-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine

C48H46N10O — CID 162024801

IUPACN-[(4-methoxyphenyl)methyl]-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine
SMILESCOc1ccc(CNC(C)c2cccc(-c3ccc4cnn(-c5cccc(C)n5)c4c3)n2)cc1.Cc1cccc(-n2ncc3ccc(-c4cccc(C(C)N)n4)cc32)n1
InChIInChI=1S/C28H27N5O.C20H19N5/c1-19-6-4-9-28(31-19)33-27-16-22(12-13-23(27)18-30-33)26-8-5-7-25(32-26)20(2)29-17-21-10-14-24(34-3)15-11-21;1-13-5-3-8-20(23-13)25-19-11-15(9-10-16(19)12-22-25)18-7-4-6-17(24-18)14(2)21/h4-16,18,20,29H,17H2,1-3H3;3-12,14H,21H2,1-2H3
InChIKeyYVFQNIRFAJOICT-UHFFFAOYSA-N
MW778.97 g/mol
LogP9.46
Rot. Bonds10

About N-[(4-methoxyphenyl)methyl]-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine

N-[(4-methoxyphenyl)methyl]-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine (PubChem CID 162024801) has the molecular formula C48H46N10O and a molecular weight of 778.97 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine
PubChem CID162024801
Molecular FormulaC48H46N10O
Molecular Weight778.97 g/mol
Exact Mass778.39
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine
SMILESCOc1ccc(CNC(C)c2cccc(-c3ccc4cnn(-c5cccc(C)n5)c4c3)n2)cc1.Cc1cccc(-n2ncc3ccc(-c4cccc(C(C)N)n4)cc32)n1
InChIInChI=1S/C28H27N5O.C20H19N5/c1-19-6-4-9-28(31-19)33-27-16-22(12-13-23(27)18-30-33)26-8-5-7-25(32-26)20(2)29-17-21-10-14-24(34-3)15-11-21;1-13-5-3-8-20(23-13)25-19-11-15(9-10-16(19)12-22-25)18-7-4-6-17(24-18)14(2)21/h4-16,18,20,29H,17H2,1-3H3;3-12,14H,21H2,1-2H3
InChIKeyYVFQNIRFAJOICT-UHFFFAOYSA-N
XLogP9.46
TPSA134.48 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500778.97
LogP ≤ 59.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[(4-methoxyphenyl)methyl]-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine (CID 162024801) is N-[(4-methoxyphenyl)methyl]-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine is COc1ccc(CNC(C)c2cccc(-c3ccc4cnn(-c5cccc(C)n5)c4c3)n2)cc1.Cc1cccc(-n2ncc3ccc(-c4cccc(C(C)N)n4)cc32)n1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine?
The InChIKey is YVFQNIRFAJOICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O.C20H19N5/c1-19-6-4-9-28(31-19)33-27-16-22(12-13-23(27)18-30-33)26-8-5-7-25(32-26)20(2)29-17-21-10-14-24(34-3)15-11-21;1-13-5-3-8-20(23-13)25-19-11-15(9-10-16(19)12-22-25)18-7-4-6-17(24-18)14(2)21/h4-16,18,20,29H,17H2,1-3H3;3-12,14H,21H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine?
N-[(4-methoxyphenyl)methyl]-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine has a molecular weight of 778.97 g/mol, XLogP of 9.46, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine is sourced from PubChem (CID 162024801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).