[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone

C21H24N4O2 — CID 99807657

IUPAC[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
SMILESCOc1ccc2[nH]cc(C3=CCN(C(=O)c4ccn(C(C)C)n4)CC3)c2c1
InChIInChI=1S/C21H24N4O2/c1-14(2)25-11-8-20(23-25)21(26)24-9-6-15(7-10-24)18-13-22-19-5-4-16(27-3)12-17(18)19/h4-6,8,11-14,22H,7,9-10H2,1-3H3
InChIKeySFIWGPRSCMSQRI-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.88
Rot. Bonds4

About [4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone

[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone (PubChem CID 99807657) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is [4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
PubChem CID99807657
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
SMILESCOc1ccc2[nH]cc(C3=CCN(C(=O)c4ccn(C(C)C)n4)CC3)c2c1
InChIInChI=1S/C21H24N4O2/c1-14(2)25-11-8-20(23-25)21(26)24-9-6-15(7-10-24)18-13-22-19-5-4-16(27-3)12-17(18)19/h4-6,8,11-14,22H,7,9-10H2,1-3H3
InChIKeySFIWGPRSCMSQRI-UHFFFAOYSA-N
XLogP3.88
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone 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 [4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
The IUPAC name of [4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone (CID 99807657) is [4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone is COc1ccc2[nH]cc(C3=CCN(C(=O)c4ccn(C(C)C)n4)CC3)c2c1.
What is the InChIKey of [4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
The InChIKey is SFIWGPRSCMSQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14(2)25-11-8-20(23-25)21(26)24-9-6-15(7-10-24)18-13-22-19-5-4-16(27-3)12-17(18)19/h4-6,8,11-14,22H,7,9-10H2,1-3H3.
What are the key properties of [4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone has a molecular weight of 364.45 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 99807657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).