N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide

C20H25N5O2S — CID 176503974

IUPACN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCC(NC(=O)c1cnc2c(c1)ncn2C1CCOCC1)c1nc(C)c(C)s1
InChIInChI=1S/C20H25N5O2S/c1-4-16(20-23-12(2)13(3)28-20)24-19(26)14-9-17-18(21-10-14)25(11-22-17)15-5-7-27-8-6-15/h9-11,15-16H,4-8H2,1-3H3,(H,24,26)
InChIKeyXCQDGMMTNYZLSF-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.74
Rot. Bonds5

About N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176503974) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176503974
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCC(NC(=O)c1cnc2c(c1)ncn2C1CCOCC1)c1nc(C)c(C)s1
InChIInChI=1S/C20H25N5O2S/c1-4-16(20-23-12(2)13(3)28-20)24-19(26)14-9-17-18(21-10-14)25(11-22-17)15-5-7-27-8-6-15/h9-11,15-16H,4-8H2,1-3H3,(H,24,26)
InChIKeyXCQDGMMTNYZLSF-UHFFFAOYSA-N
XLogP3.74
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide (CID 176503974) is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide is CCC(NC(=O)c1cnc2c(c1)ncn2C1CCOCC1)c1nc(C)c(C)s1.
What is the InChIKey of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is XCQDGMMTNYZLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-4-16(20-23-12(2)13(3)28-20)24-19(26)14-9-17-18(21-10-14)25(11-22-17)15-5-7-27-8-6-15/h9-11,15-16H,4-8H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176503974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).