N-[2-(dimethylamino)ethyl]-N-(3-methyl-2-piperidin-4-ylindazol-7-yl)formamide

C18H27N5O — CID 174677643

IUPACN-[2-(dimethylamino)ethyl]-N-(3-methyl-2-piperidin-4-ylindazol-7-yl)formamide
SMILESCc1c2cccc(N(C=O)CCN(C)C)c2nn1C1CCNCC1
InChIInChI=1S/C18H27N5O/c1-14-16-5-4-6-17(22(13-24)12-11-21(2)3)18(16)20-23(14)15-7-9-19-10-8-15/h4-6,13,15,19H,7-12H2,1-3H3
InChIKeyOLKKGBIPNJIMPG-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.79
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-(3-methyl-2-piperidin-4-ylindazol-7-yl)formamide

N-[2-(dimethylamino)ethyl]-N-(3-methyl-2-piperidin-4-ylindazol-7-yl)formamide (PubChem CID 174677643) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(3-methyl-2-piperidin-4-ylindazol-7-yl)formamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(3-methyl-2-piperidin-4-ylindazol-7-yl)formamide
PubChem CID174677643
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(3-methyl-2-piperidin-4-ylindazol-7-yl)formamide
SMILESCc1c2cccc(N(C=O)CCN(C)C)c2nn1C1CCNCC1
InChIInChI=1S/C18H27N5O/c1-14-16-5-4-6-17(22(13-24)12-11-21(2)3)18(16)20-23(14)15-7-9-19-10-8-15/h4-6,13,15,19H,7-12H2,1-3H3
InChIKeyOLKKGBIPNJIMPG-UHFFFAOYSA-N
XLogP1.79
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[2-(dimethylamino)ethyl]-N-(3-methyl-2-piperidin-4-ylindazol-7-yl)formamide 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-[2-(dimethylamino)ethyl]-N-(3-methyl-2-piperidin-4-ylindazol-7-yl)formamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(3-methyl-2-piperidin-4-ylindazol-7-yl)formamide (CID 174677643) is N-[2-(dimethylamino)ethyl]-N-(3-methyl-2-piperidin-4-ylindazol-7-yl)formamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(3-methyl-2-piperidin-4-ylindazol-7-yl)formamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(3-methyl-2-piperidin-4-ylindazol-7-yl)formamide is Cc1c2cccc(N(C=O)CCN(C)C)c2nn1C1CCNCC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(3-methyl-2-piperidin-4-ylindazol-7-yl)formamide?
The InChIKey is OLKKGBIPNJIMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-14-16-5-4-6-17(22(13-24)12-11-21(2)3)18(16)20-23(14)15-7-9-19-10-8-15/h4-6,13,15,19H,7-12H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(3-methyl-2-piperidin-4-ylindazol-7-yl)formamide?
N-[2-(dimethylamino)ethyl]-N-(3-methyl-2-piperidin-4-ylindazol-7-yl)formamide has a molecular weight of 329.45 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-(3-methyl-2-piperidin-4-ylindazol-7-yl)formamide is sourced from PubChem (CID 174677643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).