1-methyl-N-(oxan-4-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide

C24H24N4O2S — CID 134399485

IUPAC1-methyl-N-(oxan-4-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCn1ccc2c(Cc3ccc(-c4cscn4)cc3)cc(C(=O)NC3CCOCC3)nc21
InChIInChI=1S/C24H24N4O2S/c1-28-9-6-20-18(12-16-2-4-17(5-3-16)22-14-31-15-25-22)13-21(27-23(20)28)24(29)26-19-7-10-30-11-8-19/h2-6,9,13-15,19H,7-8,10-12H2,1H3,(H,26,29)
InChIKeyLTLWZPFSVZJIOE-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.20
Rot. Bonds5

About 1-methyl-N-(oxan-4-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide

1-methyl-N-(oxan-4-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 134399485) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 1-methyl-N-(oxan-4-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(oxan-4-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID134399485
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name1-methyl-N-(oxan-4-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCn1ccc2c(Cc3ccc(-c4cscn4)cc3)cc(C(=O)NC3CCOCC3)nc21
InChIInChI=1S/C24H24N4O2S/c1-28-9-6-20-18(12-16-2-4-17(5-3-16)22-14-31-15-25-22)13-21(27-23(20)28)24(29)26-19-7-10-30-11-8-19/h2-6,9,13-15,19H,7-8,10-12H2,1H3,(H,26,29)
InChIKeyLTLWZPFSVZJIOE-UHFFFAOYSA-N
XLogP4.20
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(oxan-4-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of 1-methyl-N-(oxan-4-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide (CID 134399485) is 1-methyl-N-(oxan-4-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-methyl-N-(oxan-4-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for 1-methyl-N-(oxan-4-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide is Cn1ccc2c(Cc3ccc(-c4cscn4)cc3)cc(C(=O)NC3CCOCC3)nc21.
What is the InChIKey of 1-methyl-N-(oxan-4-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is LTLWZPFSVZJIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-28-9-6-20-18(12-16-2-4-17(5-3-16)22-14-31-15-25-22)13-21(27-23(20)28)24(29)26-19-7-10-30-11-8-19/h2-6,9,13-15,19H,7-8,10-12H2,1H3,(H,26,29).
What are the key properties of 1-methyl-N-(oxan-4-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide?
1-methyl-N-(oxan-4-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(oxan-4-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 134399485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).