N-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide

C23H19N7O2 — CID 89458806

IUPACN-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(C#N)cc4)c3c2)c1
InChIInChI=1S/C23H19N7O2/c1-30(2)23(32)27-18-9-16(12-25-13-18)15-5-8-20-19(10-15)21(29-28-20)22(31)26-17-6-3-14(11-24)4-7-17/h3-10,12-13H,1-2H3,(H,26,31)(H,27,32)(H,28,29)
InChIKeyMUJHCAZGIOXYMY-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.84
Rot. Bonds4

About N-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide

N-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89458806) has the molecular formula C23H19N7O2 and a molecular weight of 425.45 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89458806
Molecular FormulaC23H19N7O2
Molecular Weight425.45 g/mol
Exact Mass425.16
IUPAC NameN-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(C#N)cc4)c3c2)c1
InChIInChI=1S/C23H19N7O2/c1-30(2)23(32)27-18-9-16(12-25-13-18)15-5-8-20-19(10-15)21(29-28-20)22(31)26-17-6-3-14(11-24)4-7-17/h3-10,12-13H,1-2H3,(H,26,31)(H,27,32)(H,28,29)
InChIKeyMUJHCAZGIOXYMY-UHFFFAOYSA-N
XLogP3.84
TPSA126.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
CID 89459134
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89458344
N-(4-cyanophenyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89459269
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrimidin-5-yl]-1H-indazole-3-carboxamide
CID 159975834
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458952
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(4-methyl-2-pyridinyl)-1H-indazole-3-carboxamide
CID 118390947
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89451293
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(4-cyanophenyl)-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 162171218
N-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382347
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118382368
N-(6-cyano-3-pyridinyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450886
N-(6-cyano-3-pyridinyl)-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450447

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89458806) is N-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide is CN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(C#N)cc4)c3c2)c1.
What is the InChIKey of N-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is MUJHCAZGIOXYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2/c1-30(2)23(32)27-18-9-16(12-25-13-18)15-5-8-20-19(10-15)21(29-28-20)22(31)26-17-6-3-14(11-24)4-7-17/h3-10,12-13H,1-2H3,(H,26,31)(H,27,32)(H,28,29).
What are the key properties of N-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89458806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).