[6-(6-acetyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamic acid

C21H17N5O3 — CID 118664010

IUPAC[6-(6-acetyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamic acid
SMILESCC(=O)c1cccc(-c2cc(NC(=O)O)c3cnn(-c4cccc(C)n4)c3c2)n1
InChIInChI=1S/C21H17N5O3/c1-12-5-3-8-20(23-12)26-19-10-14(17-7-4-6-16(24-17)13(2)27)9-18(25-21(28)29)15(19)11-22-26/h3-11,25H,1-2H3,(H,28,29)
InChIKeyURAXHOLSILIGAN-UHFFFAOYSA-N
MW387.40 g/mol
LogP4.08
Rot. Bonds4

About [6-(6-acetyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamic acid

[6-(6-acetyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamic acid (PubChem CID 118664010) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is [6-(6-acetyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamic acid.

Molecular Properties

Compound Name[6-(6-acetyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamic acid
PubChem CID118664010
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC Name[6-(6-acetyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamic acid
SMILESCC(=O)c1cccc(-c2cc(NC(=O)O)c3cnn(-c4cccc(C)n4)c3c2)n1
InChIInChI=1S/C21H17N5O3/c1-12-5-3-8-20(23-12)26-19-10-14(17-7-4-6-16(24-17)13(2)27)9-18(25-21(28)29)15(19)11-22-26/h3-11,25H,1-2H3,(H,28,29)
InChIKeyURAXHOLSILIGAN-UHFFFAOYSA-N
XLogP4.08
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(6-acetyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamic acid?
The IUPAC name of [6-(6-acetyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamic acid (CID 118664010) is [6-(6-acetyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamic acid.
What is the SMILES notation for [6-(6-acetyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamic acid?
The canonical SMILES for [6-(6-acetyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamic acid is CC(=O)c1cccc(-c2cc(NC(=O)O)c3cnn(-c4cccc(C)n4)c3c2)n1.
What is the InChIKey of [6-(6-acetyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamic acid?
The InChIKey is URAXHOLSILIGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3/c1-12-5-3-8-20(23-12)26-19-10-14(17-7-4-6-16(24-17)13(2)27)9-18(25-21(28)29)15(19)11-22-26/h3-11,25H,1-2H3,(H,28,29).
What are the key properties of [6-(6-acetyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamic acid?
[6-(6-acetyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamic acid has a molecular weight of 387.40 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(6-acetyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamic acid is sourced from PubChem (CID 118664010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).