2-(1-pyrimidin-4-ylindazol-6-yl)pyridine-4-carboxamide

C17H12N6O — CID 175755966

IUPAC2-(1-pyrimidin-4-ylindazol-6-yl)pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(-c2ccc3cnn(-c4ccncn4)c3c2)c1
InChIInChI=1S/C17H12N6O/c18-17(24)12-3-6-20-14(7-12)11-1-2-13-9-22-23(15(13)8-11)16-4-5-19-10-21-16/h1-10H,(H2,18,24)
InChIKeyFAKNBIJWBGFZCJ-UHFFFAOYSA-N
MW316.32 g/mol
LogP1.98
Rot. Bonds3

About 2-(1-pyrimidin-4-ylindazol-6-yl)pyridine-4-carboxamide

2-(1-pyrimidin-4-ylindazol-6-yl)pyridine-4-carboxamide (PubChem CID 175755966) has the molecular formula C17H12N6O and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-(1-pyrimidin-4-ylindazol-6-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1-pyrimidin-4-ylindazol-6-yl)pyridine-4-carboxamide
PubChem CID175755966
Molecular FormulaC17H12N6O
Molecular Weight316.32 g/mol
Exact Mass316.11
IUPAC Name2-(1-pyrimidin-4-ylindazol-6-yl)pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(-c2ccc3cnn(-c4ccncn4)c3c2)c1
InChIInChI=1S/C17H12N6O/c18-17(24)12-3-6-20-14(7-12)11-1-2-13-9-22-23(15(13)8-11)16-4-5-19-10-21-16/h1-10H,(H2,18,24)
InChIKeyFAKNBIJWBGFZCJ-UHFFFAOYSA-N
XLogP1.98
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrimidin-4-ylindazol-6-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(1-pyrimidin-4-ylindazol-6-yl)pyridine-4-carboxamide (CID 175755966) is 2-(1-pyrimidin-4-ylindazol-6-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(1-pyrimidin-4-ylindazol-6-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(1-pyrimidin-4-ylindazol-6-yl)pyridine-4-carboxamide is NC(=O)c1ccnc(-c2ccc3cnn(-c4ccncn4)c3c2)c1.
What is the InChIKey of 2-(1-pyrimidin-4-ylindazol-6-yl)pyridine-4-carboxamide?
The InChIKey is FAKNBIJWBGFZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O/c18-17(24)12-3-6-20-14(7-12)11-1-2-13-9-22-23(15(13)8-11)16-4-5-19-10-21-16/h1-10H,(H2,18,24).
What are the key properties of 2-(1-pyrimidin-4-ylindazol-6-yl)pyridine-4-carboxamide?
2-(1-pyrimidin-4-ylindazol-6-yl)pyridine-4-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrimidin-4-ylindazol-6-yl)pyridine-4-carboxamide is sourced from PubChem (CID 175755966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).