2-acetamido-3-(1H-indol-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide

C26H27N5O2 — CID 55885074

IUPAC2-acetamido-3-(1H-indol-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1
InChIInChI=1S/C26H27N5O2/c1-17(32)28-23(14-19-15-27-22-7-3-2-6-21(19)22)26(33)29-20-11-9-18(10-12-20)24-16-31-13-5-4-8-25(31)30-24/h2-3,6-7,9-12,15-16,23,27H,4-5,8,13-14H2,1H3,(H,28,32)(H,29,33)
InChIKeyURLDQUJLYZHIBR-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.05
Rot. Bonds6

About 2-acetamido-3-(1H-indol-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide

2-acetamido-3-(1H-indol-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide (PubChem CID 55885074) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 2-acetamido-3-(1H-indol-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(1H-indol-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
PubChem CID55885074
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name2-acetamido-3-(1H-indol-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1
InChIInChI=1S/C26H27N5O2/c1-17(32)28-23(14-19-15-27-22-7-3-2-6-21(19)22)26(33)29-20-11-9-18(10-12-20)24-16-31-13-5-4-8-25(31)30-24/h2-3,6-7,9-12,15-16,23,27H,4-5,8,13-14H2,1H3,(H,28,32)(H,29,33)
InChIKeyURLDQUJLYZHIBR-UHFFFAOYSA-N
XLogP4.05
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
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2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide
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2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
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2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
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2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
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(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
(2S)-2-[[2-(3,5-dimethylphenyl)acetyl]amino]-N-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-3-(1H-indol-3-yl)propanamide
CID 51038972

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide?
The IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide (CID 55885074) is 2-acetamido-3-(1H-indol-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-acetamido-3-(1H-indol-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide?
The canonical SMILES for 2-acetamido-3-(1H-indol-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1.
What is the InChIKey of 2-acetamido-3-(1H-indol-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide?
The InChIKey is URLDQUJLYZHIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-17(32)28-23(14-19-15-27-22-7-3-2-6-21(19)22)26(33)29-20-11-9-18(10-12-20)24-16-31-13-5-4-8-25(31)30-24/h2-3,6-7,9-12,15-16,23,27H,4-5,8,13-14H2,1H3,(H,28,32)(H,29,33).
What are the key properties of 2-acetamido-3-(1H-indol-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide?
2-acetamido-3-(1H-indol-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide has a molecular weight of 441.54 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(1H-indol-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide is sourced from PubChem (CID 55885074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).