N-tert-butyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C23H29N5O — CID 118381544

IUPACN-tert-butyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCC(C)(C)NC(=O)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C23H29N5O/c1-23(2,3)25-22(29)21-19-12-17(7-8-20(19)26-27-21)18-11-16(13-24-14-18)15-28-9-5-4-6-10-28/h7-8,11-14H,4-6,9-10,15H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyJUHYUPVYGRLAQR-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.14
Rot. Bonds4

About N-tert-butyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-tert-butyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118381544) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N-tert-butyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID118381544
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN-tert-butyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCC(C)(C)NC(=O)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C23H29N5O/c1-23(2,3)25-22(29)21-19-12-17(7-8-20(19)26-27-21)18-11-16(13-24-14-18)15-28-9-5-4-6-10-28/h7-8,11-14H,4-6,9-10,15H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyJUHYUPVYGRLAQR-UHFFFAOYSA-N
XLogP4.14
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[(E)-prop-1-enyl]-1H-indazole-3-carboxamide
CID 166774184
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381235
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1H-indazole-3-carboxamide
CID 118382129
5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(oxan-4-yl)-1H-indazole-3-carboxamide
CID 118381641
5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide
CID 118390930
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118381779
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 118382252
5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide
CID 118381881
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide
CID 118381239
5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
CID 89458778
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118381541
N-(5-benzyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89444849

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-tert-butyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 118381544) is N-tert-butyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is CC(C)(C)NC(=O)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.
What is the InChIKey of N-tert-butyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is JUHYUPVYGRLAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-23(2,3)25-22(29)21-19-12-17(7-8-20(19)26-27-21)18-11-16(13-24-14-18)15-28-9-5-4-6-10-28/h7-8,11-14H,4-6,9-10,15H2,1-3H3,(H,25,29)(H,26,27).
What are the key properties of N-tert-butyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-tert-butyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).