2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C23H29N5O2 — CID 55838692

IUPAC2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1ccc2[nH]cc(C3=CCN(C(C)C(=O)Nc4c(C)nn(C)c4C)CC3)c2c1
InChIInChI=1S/C23H29N5O2/c1-14-22(15(2)27(4)26-14)25-23(29)16(3)28-10-8-17(9-11-28)20-13-24-21-7-6-18(30-5)12-19(20)21/h6-8,12-13,16,24H,9-11H2,1-5H3,(H,25,29)
InChIKeyPGZIYOGXGOVACJ-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.64
Rot. Bonds5

About 2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 55838692) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID55838692
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1ccc2[nH]cc(C3=CCN(C(C)C(=O)Nc4c(C)nn(C)c4C)CC3)c2c1
InChIInChI=1S/C23H29N5O2/c1-14-22(15(2)27(4)26-14)25-23(29)16(3)28-10-8-17(9-11-28)20-13-24-21-7-6-18(30-5)12-19(20)21/h6-8,12-13,16,24H,9-11H2,1-5H3,(H,25,29)
InChIKeyPGZIYOGXGOVACJ-UHFFFAOYSA-N
XLogP3.64
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 97067678
1-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylsulfonylpropan-1-one
CID 51122464
[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 99807657
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 78700917
5-methoxy-3-[1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 71939904
cyclopropyl-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 39545624
[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methylphenyl)methanone
CID 39545583
(2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpropanamide
CID 39998320
(E)-3-cyclopropyl-1-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-one
CID 94806835
3-methoxy-N-[1-[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]benzamide
CID 51943118
4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 39668146
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenoxy-1H-indole;oxalic acid
CID 44533059

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of 2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 55838692) is 2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is COc1ccc2[nH]cc(C3=CCN(C(C)C(=O)Nc4c(C)nn(C)c4C)CC3)c2c1.
What is the InChIKey of 2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is PGZIYOGXGOVACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-14-22(15(2)27(4)26-14)25-23(29)16(3)28-10-8-17(9-11-28)20-13-24-21-7-6-18(30-5)12-19(20)21/h6-8,12-13,16,24H,9-11H2,1-5H3,(H,25,29).
What are the key properties of 2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 407.52 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 55838692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).