5-cyano-N-[3-(1-cyclopropylpyrazol-4-yl)-1H-indazol-5-yl]-3,4-dimethylpyridine-2-carboxamide

C22H19N7O — CID 155482787

IUPAC5-cyano-N-[3-(1-cyclopropylpyrazol-4-yl)-1H-indazol-5-yl]-3,4-dimethylpyridine-2-carboxamide
SMILESCc1c(C#N)cnc(C(=O)Nc2ccc3[nH]nc(-c4cnn(C5CC5)c4)c3c2)c1C
InChIInChI=1S/C22H19N7O/c1-12-13(2)20(24-9-14(12)8-23)22(30)26-16-3-6-19-18(7-16)21(28-27-19)15-10-25-29(11-15)17-4-5-17/h3,6-7,9-11,17H,4-5H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyZQQQXIFQKXAGQX-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.90
Rot. Bonds4

About 5-cyano-N-[3-(1-cyclopropylpyrazol-4-yl)-1H-indazol-5-yl]-3,4-dimethylpyridine-2-carboxamide

5-cyano-N-[3-(1-cyclopropylpyrazol-4-yl)-1H-indazol-5-yl]-3,4-dimethylpyridine-2-carboxamide (PubChem CID 155482787) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is 5-cyano-N-[3-(1-cyclopropylpyrazol-4-yl)-1H-indazol-5-yl]-3,4-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[3-(1-cyclopropylpyrazol-4-yl)-1H-indazol-5-yl]-3,4-dimethylpyridine-2-carboxamide
PubChem CID155482787
Molecular FormulaC22H19N7O
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC Name5-cyano-N-[3-(1-cyclopropylpyrazol-4-yl)-1H-indazol-5-yl]-3,4-dimethylpyridine-2-carboxamide
SMILESCc1c(C#N)cnc(C(=O)Nc2ccc3[nH]nc(-c4cnn(C5CC5)c4)c3c2)c1C
InChIInChI=1S/C22H19N7O/c1-12-13(2)20(24-9-14(12)8-23)22(30)26-16-3-6-19-18(7-16)21(28-27-19)15-10-25-29(11-15)17-4-5-17/h3,6-7,9-11,17H,4-5H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyZQQQXIFQKXAGQX-UHFFFAOYSA-N
XLogP3.90
TPSA112.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[3-(1-cyclopropylpyrazol-4-yl)-1H-indazol-5-yl]-3,4-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[3-(1-cyclopropylpyrazol-4-yl)-1H-indazol-5-yl]-3,4-dimethylpyridine-2-carboxamide (CID 155482787) is 5-cyano-N-[3-(1-cyclopropylpyrazol-4-yl)-1H-indazol-5-yl]-3,4-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[3-(1-cyclopropylpyrazol-4-yl)-1H-indazol-5-yl]-3,4-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[3-(1-cyclopropylpyrazol-4-yl)-1H-indazol-5-yl]-3,4-dimethylpyridine-2-carboxamide is Cc1c(C#N)cnc(C(=O)Nc2ccc3[nH]nc(-c4cnn(C5CC5)c4)c3c2)c1C.
What is the InChIKey of 5-cyano-N-[3-(1-cyclopropylpyrazol-4-yl)-1H-indazol-5-yl]-3,4-dimethylpyridine-2-carboxamide?
The InChIKey is ZQQQXIFQKXAGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c1-12-13(2)20(24-9-14(12)8-23)22(30)26-16-3-6-19-18(7-16)21(28-27-19)15-10-25-29(11-15)17-4-5-17/h3,6-7,9-11,17H,4-5H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of 5-cyano-N-[3-(1-cyclopropylpyrazol-4-yl)-1H-indazol-5-yl]-3,4-dimethylpyridine-2-carboxamide?
5-cyano-N-[3-(1-cyclopropylpyrazol-4-yl)-1H-indazol-5-yl]-3,4-dimethylpyridine-2-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[3-(1-cyclopropylpyrazol-4-yl)-1H-indazol-5-yl]-3,4-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 155482787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).