1-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide

C18H18N6OS — CID 157010950

IUPAC1-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCN1CCc2ccc(C(=O)NCCc3csc(-c4ncccn4)n3)nc21
InChIInChI=1S/C18H18N6OS/c1-24-10-6-12-3-4-14(23-16(12)24)17(25)21-9-5-13-11-26-18(22-13)15-19-7-2-8-20-15/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,21,25)
InChIKeyWQUFDRMJUQOLSD-UHFFFAOYSA-N
MW366.45 g/mol
LogP1.96
Rot. Bonds5

About 1-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide

1-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 157010950) has the molecular formula C18H18N6OS and a molecular weight of 366.45 g/mol. Its IUPAC name is 1-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID157010950
Molecular FormulaC18H18N6OS
Molecular Weight366.45 g/mol
Exact Mass366.13
IUPAC Name1-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCN1CCc2ccc(C(=O)NCCc3csc(-c4ncccn4)n3)nc21
InChIInChI=1S/C18H18N6OS/c1-24-10-6-12-3-4-14(23-16(12)24)17(25)21-9-5-13-11-26-18(22-13)15-19-7-2-8-20-15/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,21,25)
InChIKeyWQUFDRMJUQOLSD-UHFFFAOYSA-N
XLogP1.96
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of 1-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide (CID 157010950) is 1-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide is CN1CCc2ccc(C(=O)NCCc3csc(-c4ncccn4)n3)nc21.
What is the InChIKey of 1-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is WQUFDRMJUQOLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6OS/c1-24-10-6-12-3-4-14(23-16(12)24)17(25)21-9-5-13-11-26-18(22-13)15-19-7-2-8-20-15/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,21,25).
What are the key properties of 1-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide?
1-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 157010950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).