N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridazin-4-ylindole-3-carboxamide

C21H23N5O2 — CID 126842506

IUPACN-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridazin-4-ylindole-3-carboxamide
SMILESCN1C2COCC1CC(NC(=O)c1cn(-c3ccnnc3)c3ccccc13)C2
InChIInChI=1S/C21H23N5O2/c1-25-16-8-14(9-17(25)13-28-12-16)24-21(27)19-11-26(15-6-7-22-23-10-15)20-5-3-2-4-18(19)20/h2-7,10-11,14,16-17H,8-9,12-13H2,1H3,(H,24,27)
InChIKeyFBRRMRMKZHPYEI-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.01
Rot. Bonds3

About N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridazin-4-ylindole-3-carboxamide

N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridazin-4-ylindole-3-carboxamide (PubChem CID 126842506) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridazin-4-ylindole-3-carboxamide.

Molecular Properties

Compound NameN-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridazin-4-ylindole-3-carboxamide
PubChem CID126842506
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridazin-4-ylindole-3-carboxamide
SMILESCN1C2COCC1CC(NC(=O)c1cn(-c3ccnnc3)c3ccccc13)C2
InChIInChI=1S/C21H23N5O2/c1-25-16-8-14(9-17(25)13-28-12-16)24-21(27)19-11-26(15-6-7-22-23-10-15)20-5-3-2-4-18(19)20/h2-7,10-11,14,16-17H,8-9,12-13H2,1H3,(H,24,27)
InChIKeyFBRRMRMKZHPYEI-UHFFFAOYSA-N
XLogP2.01
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridazin-4-ylindole-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

Related Compounds

Jak-IN-3
CID 68291755
N-[2-methyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]-3-pyridinyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71283495
PF-06764427, >=98% (Hplc)
CID 124203829
7-(aminomethyl)-2-(2-(quinolin-3-yl)pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 54582534
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(pyridin-3-yl)-1H-indazole-3-carboxamide
CID 71714628
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(6-methylpyridin-3-yl)-1H-indazole-3-carboxamide
CID 89777948
N-[(S)-cyclopentyl(pyridin-2-yl)methyl]-3-[4-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)phenyl]-1H-indazole-5-carboxamide
CID 117751336
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-methylpyrazol-4-yl)ethyl]indole-3-carboxamide
CID 117807815
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 117937642
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 117937652
US10072005, Example 57
CID 117973700
4,6-difluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-1-[[6-(1-methylpyrazol-4-yl)pyridin-3-yl]methyl]indole-3-carboxamide
CID 134817226

Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridazin-4-ylindole-3-carboxamide?
The IUPAC name of N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridazin-4-ylindole-3-carboxamide (CID 126842506) is N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridazin-4-ylindole-3-carboxamide.
What is the SMILES notation for N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridazin-4-ylindole-3-carboxamide?
The canonical SMILES for N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridazin-4-ylindole-3-carboxamide is CN1C2COCC1CC(NC(=O)c1cn(-c3ccnnc3)c3ccccc13)C2.
What is the InChIKey of N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridazin-4-ylindole-3-carboxamide?
The InChIKey is FBRRMRMKZHPYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-25-16-8-14(9-17(25)13-28-12-16)24-21(27)19-11-26(15-6-7-22-23-10-15)20-5-3-2-4-18(19)20/h2-7,10-11,14,16-17H,8-9,12-13H2,1H3,(H,24,27).
What are the key properties of N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridazin-4-ylindole-3-carboxamide?
N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridazin-4-ylindole-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridazin-4-ylindole-3-carboxamide is sourced from PubChem (CID 126842506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).