2-[6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]-2-methylpropanamide

C23H24N6O — CID 118663700

IUPAC2-[6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]-2-methylpropanamide
SMILESCC(N)c1cccc(-c2ccc3cnn(-c4cccc(C(C)(C)C(N)=O)n4)c3c2)n1
InChIInChI=1S/C23H24N6O/c1-14(24)17-6-4-7-18(27-17)15-10-11-16-13-26-29(19(16)12-15)21-9-5-8-20(28-21)23(2,3)22(25)30/h4-14H,24H2,1-3H3,(H2,25,30)
InChIKeyZURMEBFWWOFWOX-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.27
Rot. Bonds5

About 2-[6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]-2-methylpropanamide

2-[6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]-2-methylpropanamide (PubChem CID 118663700) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-[6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]-2-methylpropanamide
PubChem CID118663700
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name2-[6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]-2-methylpropanamide
SMILESCC(N)c1cccc(-c2ccc3cnn(-c4cccc(C(C)(C)C(N)=O)n4)c3c2)n1
InChIInChI=1S/C23H24N6O/c1-14(24)17-6-4-7-18(27-17)15-10-11-16-13-26-29(19(16)12-15)21-9-5-8-20(28-21)23(2,3)22(25)30/h4-14H,24H2,1-3H3,(H2,25,30)
InChIKeyZURMEBFWWOFWOX-UHFFFAOYSA-N
XLogP3.27
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]-2-methylpropanamide?
The IUPAC name of 2-[6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]-2-methylpropanamide (CID 118663700) is 2-[6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for 2-[6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]-2-methylpropanamide?
The canonical SMILES for 2-[6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]-2-methylpropanamide is CC(N)c1cccc(-c2ccc3cnn(-c4cccc(C(C)(C)C(N)=O)n4)c3c2)n1.
What is the InChIKey of 2-[6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]-2-methylpropanamide?
The InChIKey is ZURMEBFWWOFWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-14(24)17-6-4-7-18(27-17)15-10-11-16-13-26-29(19(16)12-15)21-9-5-8-20(28-21)23(2,3)22(25)30/h4-14H,24H2,1-3H3,(H2,25,30).
What are the key properties of 2-[6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]-2-methylpropanamide?
2-[6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]-2-methylpropanamide has a molecular weight of 400.49 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[6-[6-(1-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 118663700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).