1-[4-(dimethylamino)cyclohexyl]-5-pyridin-3-ylindazole-3-carboxamide

C21H25N5O — CID 140689312

IUPAC1-[4-(dimethylamino)cyclohexyl]-5-pyridin-3-ylindazole-3-carboxamide
SMILESCN(C)C1CCC(n2nc(C(N)=O)c3cc(-c4cccnc4)ccc32)CC1
InChIInChI=1S/C21H25N5O/c1-25(2)16-6-8-17(9-7-16)26-19-10-5-14(15-4-3-11-23-13-15)12-18(19)20(24-26)21(22)27/h3-5,10-13,16-17H,6-9H2,1-2H3,(H2,22,27)
InChIKeyVEQKYWMYQOLYON-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.24
Rot. Bonds4

About 1-[4-(dimethylamino)cyclohexyl]-5-pyridin-3-ylindazole-3-carboxamide

1-[4-(dimethylamino)cyclohexyl]-5-pyridin-3-ylindazole-3-carboxamide (PubChem CID 140689312) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 1-[4-(dimethylamino)cyclohexyl]-5-pyridin-3-ylindazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-(dimethylamino)cyclohexyl]-5-pyridin-3-ylindazole-3-carboxamide
PubChem CID140689312
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name1-[4-(dimethylamino)cyclohexyl]-5-pyridin-3-ylindazole-3-carboxamide
SMILESCN(C)C1CCC(n2nc(C(N)=O)c3cc(-c4cccnc4)ccc32)CC1
InChIInChI=1S/C21H25N5O/c1-25(2)16-6-8-17(9-7-16)26-19-10-5-14(15-4-3-11-23-13-15)12-18(19)20(24-26)21(22)27/h3-5,10-13,16-17H,6-9H2,1-2H3,(H2,22,27)
InChIKeyVEQKYWMYQOLYON-UHFFFAOYSA-N
XLogP3.24
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)cyclohexyl]-5-pyridin-3-ylindazole-3-carboxamide?
The IUPAC name of 1-[4-(dimethylamino)cyclohexyl]-5-pyridin-3-ylindazole-3-carboxamide (CID 140689312) is 1-[4-(dimethylamino)cyclohexyl]-5-pyridin-3-ylindazole-3-carboxamide.
What is the SMILES notation for 1-[4-(dimethylamino)cyclohexyl]-5-pyridin-3-ylindazole-3-carboxamide?
The canonical SMILES for 1-[4-(dimethylamino)cyclohexyl]-5-pyridin-3-ylindazole-3-carboxamide is CN(C)C1CCC(n2nc(C(N)=O)c3cc(-c4cccnc4)ccc32)CC1.
What is the InChIKey of 1-[4-(dimethylamino)cyclohexyl]-5-pyridin-3-ylindazole-3-carboxamide?
The InChIKey is VEQKYWMYQOLYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-25(2)16-6-8-17(9-7-16)26-19-10-5-14(15-4-3-11-23-13-15)12-18(19)20(24-26)21(22)27/h3-5,10-13,16-17H,6-9H2,1-2H3,(H2,22,27).
What are the key properties of 1-[4-(dimethylamino)cyclohexyl]-5-pyridin-3-ylindazole-3-carboxamide?
1-[4-(dimethylamino)cyclohexyl]-5-pyridin-3-ylindazole-3-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)cyclohexyl]-5-pyridin-3-ylindazole-3-carboxamide is sourced from PubChem (CID 140689312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).