N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C25H25N7O2 — CID 86679707

IUPACN-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1
InChIInChI=1S/C25H25N7O2/c26-24(33)22-7-5-19(14-28-22)29-25(34)23-20-11-17(4-6-21(20)30-31-23)18-10-16(12-27-13-18)15-32-8-2-1-3-9-32/h4-7,10-14H,1-3,8-9,15H2,(H2,26,33)(H,29,34)(H,30,31)
InChIKeyDDGITCXOHBVIFI-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.36
Rot. Bonds6

About N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 86679707) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID86679707
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC NameN-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1
InChIInChI=1S/C25H25N7O2/c26-24(33)22-7-5-19(14-28-22)29-25(34)23-20-11-17(4-6-21(20)30-31-23)18-10-16(12-27-13-18)15-32-8-2-1-3-9-32/h4-7,10-14H,1-3,8-9,15H2,(H2,26,33)(H,29,34)(H,30,31)
InChIKeyDDGITCXOHBVIFI-UHFFFAOYSA-N
XLogP3.36
TPSA129.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 86679707) is N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is NC(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1.
What is the InChIKey of N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is DDGITCXOHBVIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c26-24(33)22-7-5-19(14-28-22)29-25(34)23-20-11-17(4-6-21(20)30-31-23)18-10-16(12-27-13-18)15-32-8-2-1-3-9-32/h4-7,10-14H,1-3,8-9,15H2,(H2,26,33)(H,29,34)(H,30,31).
What are the key properties of N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 86679707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).