4-(1-methylindol-3-yl)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide

C24H29N5O — CID 124846200

IUPAC4-(1-methylindol-3-yl)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide
SMILESCC(C)C[C@@H](NC(=O)CCCc1cn(C)c2ccccc12)c1nnc2ccccn12
InChIInChI=1S/C24H29N5O/c1-17(2)15-20(24-27-26-22-12-6-7-14-29(22)24)25-23(30)13-8-9-18-16-28(3)21-11-5-4-10-19(18)21/h4-7,10-12,14,16-17,20H,8-9,13,15H2,1-3H3,(H,25,30)/t20-/m1/s1
InChIKeyIITCROWJMBPTSW-HXUWFJFHSA-N
MW403.53 g/mol
LogP4.45
Rot. Bonds8

About 4-(1-methylindol-3-yl)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide

4-(1-methylindol-3-yl)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide (PubChem CID 124846200) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 4-(1-methylindol-3-yl)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide.

Molecular Properties

Compound Name4-(1-methylindol-3-yl)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide
PubChem CID124846200
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name4-(1-methylindol-3-yl)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide
SMILESCC(C)C[C@@H](NC(=O)CCCc1cn(C)c2ccccc12)c1nnc2ccccn12
InChIInChI=1S/C24H29N5O/c1-17(2)15-20(24-27-26-22-12-6-7-14-29(22)24)25-23(30)13-8-9-18-16-28(3)21-11-5-4-10-19(18)21/h4-7,10-12,14,16-17,20H,8-9,13,15H2,1-3H3,(H,25,30)/t20-/m1/s1
InChIKeyIITCROWJMBPTSW-HXUWFJFHSA-N
XLogP4.45
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylindol-3-yl)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide?
The IUPAC name of 4-(1-methylindol-3-yl)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide (CID 124846200) is 4-(1-methylindol-3-yl)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide.
What is the SMILES notation for 4-(1-methylindol-3-yl)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide?
The canonical SMILES for 4-(1-methylindol-3-yl)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide is CC(C)C[C@@H](NC(=O)CCCc1cn(C)c2ccccc12)c1nnc2ccccn12.
What is the InChIKey of 4-(1-methylindol-3-yl)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide?
The InChIKey is IITCROWJMBPTSW-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29N5O/c1-17(2)15-20(24-27-26-22-12-6-7-14-29(22)24)25-23(30)13-8-9-18-16-28(3)21-11-5-4-10-19(18)21/h4-7,10-12,14,16-17,20H,8-9,13,15H2,1-3H3,(H,25,30)/t20-/m1/s1.
What are the key properties of 4-(1-methylindol-3-yl)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide?
4-(1-methylindol-3-yl)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide has a molecular weight of 403.53 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylindol-3-yl)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide is sourced from PubChem (CID 124846200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).