6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide

C21H20N6O2 — CID 118664417

IUPAC6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide
SMILESNc1cncc(-c2ccc3cnn(-c4cccc(C(=O)NCCCO)n4)c3c2)c1
InChIInChI=1S/C21H20N6O2/c22-17-9-16(11-23-13-17)14-5-6-15-12-25-27(19(15)10-14)20-4-1-3-18(26-20)21(29)24-7-2-8-28/h1,3-6,9-13,28H,2,7-8,22H2,(H,24,29)
InChIKeyLCVAEIIYEORSRI-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.18
Rot. Bonds6

About 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide

6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide (PubChem CID 118664417) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide
PubChem CID118664417
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide
SMILESNc1cncc(-c2ccc3cnn(-c4cccc(C(=O)NCCCO)n4)c3c2)c1
InChIInChI=1S/C21H20N6O2/c22-17-9-16(11-23-13-17)14-5-6-15-12-25-27(19(15)10-14)20-4-1-3-18(26-20)21(29)24-7-2-8-28/h1,3-6,9-13,28H,2,7-8,22H2,(H,24,29)
InChIKeyLCVAEIIYEORSRI-UHFFFAOYSA-N
XLogP2.18
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide?
The IUPAC name of 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide (CID 118664417) is 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide is Nc1cncc(-c2ccc3cnn(-c4cccc(C(=O)NCCCO)n4)c3c2)c1.
What is the InChIKey of 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide?
The InChIKey is LCVAEIIYEORSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c22-17-9-16(11-23-13-17)14-5-6-15-12-25-27(19(15)10-14)20-4-1-3-18(26-20)21(29)24-7-2-8-28/h1,3-6,9-13,28H,2,7-8,22H2,(H,24,29).
What are the key properties of 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide?
6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 118664417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).