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

C20H18N6O2 — CID 118664109

IUPAC6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESNc1cncc(-c2ccc3cnn(-c4cccc(C(=O)NCCO)n4)c3c2)c1
InChIInChI=1S/C20H18N6O2/c21-16-8-15(10-22-12-16)13-4-5-14-11-24-26(18(14)9-13)19-3-1-2-17(25-19)20(28)23-6-7-27/h1-5,8-12,27H,6-7,21H2,(H,23,28)
InChIKeyPUKSSQCERMKRBQ-UHFFFAOYSA-N
MW374.40 g/mol
LogP1.79
Rot. Bonds5

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

6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide (PubChem CID 118664109) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide
PubChem CID118664109
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESNc1cncc(-c2ccc3cnn(-c4cccc(C(=O)NCCO)n4)c3c2)c1
InChIInChI=1S/C20H18N6O2/c21-16-8-15(10-22-12-16)13-4-5-14-11-24-26(18(14)9-13)19-3-1-2-17(25-19)20(28)23-6-7-27/h1-5,8-12,27H,6-7,21H2,(H,23,28)
InChIKeyPUKSSQCERMKRBQ-UHFFFAOYSA-N
XLogP1.79
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The IUPAC name of 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide (CID 118664109) is 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide is Nc1cncc(-c2ccc3cnn(-c4cccc(C(=O)NCCO)n4)c3c2)c1.
What is the InChIKey of 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The InChIKey is PUKSSQCERMKRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c21-16-8-15(10-22-12-16)13-4-5-14-11-24-26(18(14)9-13)19-3-1-2-17(25-19)20(28)23-6-7-27/h1-5,8-12,27H,6-7,21H2,(H,23,28).
What are the key properties of 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide?
6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 1.79, 5 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-(2-hydroxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118664109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).