2-amino-2-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-N-methylacetamide

C21H20N6O2 — CID 118663738

IUPAC2-amino-2-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-N-methylacetamide
SMILESCNC(=O)C(N)c1cccc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C21H20N6O2/c1-23-21(29)20(22)17-6-3-5-16(26-17)13-8-9-14-11-24-27(18(14)10-13)19-7-2-4-15(12-28)25-19/h2-11,20,28H,12,22H2,1H3,(H,23,29)
InChIKeyMFRPGDDDVIQBQP-UHFFFAOYSA-N
MW388.43 g/mol
LogP1.72
Rot. Bonds5

About 2-amino-2-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-N-methylacetamide

2-amino-2-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-N-methylacetamide (PubChem CID 118663738) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-amino-2-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-2-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-N-methylacetamide
PubChem CID118663738
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name2-amino-2-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-N-methylacetamide
SMILESCNC(=O)C(N)c1cccc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C21H20N6O2/c1-23-21(29)20(22)17-6-3-5-16(26-17)13-8-9-14-11-24-27(18(14)10-13)19-7-2-4-15(12-28)25-19/h2-11,20,28H,12,22H2,1H3,(H,23,29)
InChIKeyMFRPGDDDVIQBQP-UHFFFAOYSA-N
XLogP1.72
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-N-methylacetamide?
The IUPAC name of 2-amino-2-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-N-methylacetamide (CID 118663738) is 2-amino-2-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-2-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-N-methylacetamide?
The canonical SMILES for 2-amino-2-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-N-methylacetamide is CNC(=O)C(N)c1cccc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1.
What is the InChIKey of 2-amino-2-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-N-methylacetamide?
The InChIKey is MFRPGDDDVIQBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-23-21(29)20(22)17-6-3-5-16(26-17)13-8-9-14-11-24-27(18(14)10-13)19-7-2-4-15(12-28)25-19/h2-11,20,28H,12,22H2,1H3,(H,23,29).
What are the key properties of 2-amino-2-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-N-methylacetamide?
2-amino-2-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-N-methylacetamide has a molecular weight of 388.43 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]-N-methylacetamide is sourced from PubChem (CID 118663738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).