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5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(4-methyl-2-pyridinyl)-1H-indazole-3-carboxamide

C22H21N7O2 — CID 118390947

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(4-methyl-2-pyridinyl)-1H-indazole-3-carboxamide
SMILESCc1ccnc(NC(=O)c2n[nH]c3ccc(-c4cncc(NC(=O)N(C)C)c4)cc23)c1
InChIInChI=1S/C22H21N7O2/c1-13-6-7-24-19(8-13)26-21(30)20-17-10-14(4-5-18(17)27-28-20)15-9-16(12-23-11-15)25-22(31)29(2)3/h4-12H,1-3H3,(H,25,31)(H,27,28)(H,24,26,30)
InChIKeyMSWYSLUTHGAWRF-UHFFFAOYSA-N
MW415.46 g/mol
LogP3.67
Rot. Bonds4

About 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(4-methyl-2-pyridinyl)-1H-indazole-3-carboxamide

5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(4-methyl-2-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 118390947) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(4-methyl-2-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(4-methyl-2-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID118390947
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(4-methyl-2-pyridinyl)-1H-indazole-3-carboxamide
SMILESCc1ccnc(NC(=O)c2n[nH]c3ccc(-c4cncc(NC(=O)N(C)C)c4)cc23)c1
InChIInChI=1S/C22H21N7O2/c1-13-6-7-24-19(8-13)26-21(30)20-17-10-14(4-5-18(17)27-28-20)15-9-16(12-23-11-15)25-22(31)29(2)3/h4-12H,1-3H3,(H,25,31)(H,27,28)(H,24,26,30)
InChIKeyMSWYSLUTHGAWRF-UHFFFAOYSA-N
XLogP3.67
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(4-methyl-2-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(4-methyl-2-pyridinyl)-1H-indazole-3-carboxamide (CID 118390947) is 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(4-methyl-2-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(4-methyl-2-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(4-methyl-2-pyridinyl)-1H-indazole-3-carboxamide is Cc1ccnc(NC(=O)c2n[nH]c3ccc(-c4cncc(NC(=O)N(C)C)c4)cc23)c1.
What is the InChIKey of 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(4-methyl-2-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is MSWYSLUTHGAWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c1-13-6-7-24-19(8-13)26-21(30)20-17-10-14(4-5-18(17)27-28-20)15-9-16(12-23-11-15)25-22(31)29(2)3/h4-12H,1-3H3,(H,25,31)(H,27,28)(H,24,26,30).
What are the key properties of 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(4-methyl-2-pyridinyl)-1H-indazole-3-carboxamide?
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(4-methyl-2-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 3.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(4-methyl-2-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 118390947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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