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

C22H27N7O2 — CID 118382368

IUPAC5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(NC(=O)N(C)C)c4)cc23)CC1
InChIInChI=1S/C22H27N7O2/c1-28(2)22(31)25-17-10-15(12-23-13-17)14-4-5-19-18(11-14)20(27-26-19)21(30)24-16-6-8-29(3)9-7-16/h4-5,10-13,16H,6-9H2,1-3H3,(H,24,30)(H,25,31)(H,26,27)
InChIKeyJKBNDDQHEYYYMD-UHFFFAOYSA-N
MW421.51 g/mol
LogP2.54
Rot. Bonds4

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

5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide (PubChem CID 118382368) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
PubChem CID118382368
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC Name5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(NC(=O)N(C)C)c4)cc23)CC1
InChIInChI=1S/C22H27N7O2/c1-28(2)22(31)25-17-10-15(12-23-13-17)14-4-5-19-18(11-14)20(27-26-19)21(30)24-16-6-8-29(3)9-7-16/h4-5,10-13,16H,6-9H2,1-3H3,(H,24,30)(H,25,31)(H,26,27)
InChIKeyJKBNDDQHEYYYMD-UHFFFAOYSA-N
XLogP2.54
TPSA106.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 52.54
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-(4-methyl-2-pyridinyl)-1H-indazole-3-carboxamide
CID 118390947
5-(5-amino-3-pyridinyl)-N-(1-tert-butylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118382151
N-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458806
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118382158
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89451293
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-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89458344
5-(1-aminoisoquinolin-7-yl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 171446132
N-cyclohexyl-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382113
5-(5-chloro-3-pyridinyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 118381140
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrimidin-5-yl]-1H-indazole-3-carboxamide
CID 159975834

Frequently Asked Questions

What is the IUPAC name of 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide (CID 118382368) is 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide is CN1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(NC(=O)N(C)C)c4)cc23)CC1.
What is the InChIKey of 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is JKBNDDQHEYYYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-28(2)22(31)25-17-10-15(12-23-13-17)14-4-5-19-18(11-14)20(27-26-19)21(30)24-16-6-8-29(3)9-7-16/h4-5,10-13,16H,6-9H2,1-3H3,(H,24,30)(H,25,31)(H,26,27).
What are the key properties of 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide?
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 421.51 g/mol, XLogP of 2.54, 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-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).