N-cyclohexyl-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

C22H27N5O — CID 118382113

IUPACN-cyclohexyl-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)NC4CCCCC4)c3c2)c1
InChIInChI=1S/C22H27N5O/c1-27(2)14-15-10-17(13-23-12-15)16-8-9-20-19(11-16)21(26-25-20)22(28)24-18-6-4-3-5-7-18/h8-13,18H,3-7,14H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyGLFQDKPAKKHGOZ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.75
Rot. Bonds5

About N-cyclohexyl-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

N-cyclohexyl-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118382113) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-cyclohexyl-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID118382113
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-cyclohexyl-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)NC4CCCCC4)c3c2)c1
InChIInChI=1S/C22H27N5O/c1-27(2)14-15-10-17(13-23-12-15)16-8-9-20-19(11-16)21(26-25-20)22(28)24-18-6-4-3-5-7-18/h8-13,18H,3-7,14H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyGLFQDKPAKKHGOZ-UHFFFAOYSA-N
XLogP3.75
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381150
N-cyclopropyl-5-[5-(diethylaminomethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381625
N-cyclohexyl-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382226
N-cyclohexyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382016
5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(oxan-4-yl)-1H-indazole-3-carboxamide
CID 118381641
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118381779
N-[1-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-1-propan-2-ylpiperidin-4-amine
CID 144928900
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118381541
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450996
N-(6-cyano-3-pyridinyl)-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450447
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 118382252
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89451266

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (CID 118382113) is N-cyclohexyl-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is CN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)NC4CCCCC4)c3c2)c1.
What is the InChIKey of N-cyclohexyl-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is GLFQDKPAKKHGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-27(2)14-15-10-17(13-23-12-15)16-8-9-20-19(11-16)21(26-25-20)22(28)24-18-6-4-3-5-7-18/h8-13,18H,3-7,14H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of N-cyclohexyl-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
N-cyclohexyl-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).