N-(cyclopropylmethyl)-2-[5-methoxy-2-methyl-1-(pyridine-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide

C25H24N4O3S — CID 58618099

IUPACN-(cyclopropylmethyl)-2-[5-methoxy-2-methyl-1-(pyridine-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)N(CC1CC1)c1nccs1)c(C)n2C(=O)c1ccccn1
InChIInChI=1S/C25H24N4O3S/c1-16-19(14-23(30)28(15-17-6-7-17)25-27-11-12-33-25)20-13-18(32-2)8-9-22(20)29(16)24(31)21-5-3-4-10-26-21/h3-5,8-13,17H,6-7,14-15H2,1-2H3
InChIKeyQBMRCOJRKKBQMC-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.48
Rot. Bonds7

About N-(cyclopropylmethyl)-2-[5-methoxy-2-methyl-1-(pyridine-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide

N-(cyclopropylmethyl)-2-[5-methoxy-2-methyl-1-(pyridine-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 58618099) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[5-methoxy-2-methyl-1-(pyridine-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[5-methoxy-2-methyl-1-(pyridine-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID58618099
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC NameN-(cyclopropylmethyl)-2-[5-methoxy-2-methyl-1-(pyridine-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)N(CC1CC1)c1nccs1)c(C)n2C(=O)c1ccccn1
InChIInChI=1S/C25H24N4O3S/c1-16-19(14-23(30)28(15-17-6-7-17)25-27-11-12-33-25)20-13-18(32-2)8-9-22(20)29(16)24(31)21-5-3-4-10-26-21/h3-5,8-13,17H,6-7,14-15H2,1-2H3
InChIKeyQBMRCOJRKKBQMC-UHFFFAOYSA-N
XLogP4.48
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[5-methoxy-2-methyl-1-(pyridine-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[5-methoxy-2-methyl-1-(pyridine-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 58618099) is N-(cyclopropylmethyl)-2-[5-methoxy-2-methyl-1-(pyridine-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[5-methoxy-2-methyl-1-(pyridine-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[5-methoxy-2-methyl-1-(pyridine-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide is COc1ccc2c(c1)c(CC(=O)N(CC1CC1)c1nccs1)c(C)n2C(=O)c1ccccn1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[5-methoxy-2-methyl-1-(pyridine-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is QBMRCOJRKKBQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-16-19(14-23(30)28(15-17-6-7-17)25-27-11-12-33-25)20-13-18(32-2)8-9-22(20)29(16)24(31)21-5-3-4-10-26-21/h3-5,8-13,17H,6-7,14-15H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-2-[5-methoxy-2-methyl-1-(pyridine-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide?
N-(cyclopropylmethyl)-2-[5-methoxy-2-methyl-1-(pyridine-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 460.56 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[5-methoxy-2-methyl-1-(pyridine-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 58618099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).