4-[2-(2-hydroxypropan-2-yl)-4-[(3-methyl-2-pyridinyl)oxy]-1,3-oxazol-5-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C22H23N5O5 — CID 167434007

IUPAC4-[2-(2-hydroxypropan-2-yl)-4-[(3-methyl-2-pyridinyl)oxy]-1,3-oxazol-5-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(-c3oc(C(C)(C)O)nc3Oc3ncccc3C)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C22H23N5O5/c1-11-7-6-8-24-18(11)32-19-16(31-21(26-19)22(2,3)30)13-10-27(5)20(29)15-12(13)9-14(25-15)17(28)23-4/h6-10,25,30H,1-5H3,(H,23,28)
InChIKeyAVAFLEUHNWSYCE-UHFFFAOYSA-N
MW437.46 g/mol
LogP2.60
Rot. Bonds5

About 4-[2-(2-hydroxypropan-2-yl)-4-[(3-methyl-2-pyridinyl)oxy]-1,3-oxazol-5-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

4-[2-(2-hydroxypropan-2-yl)-4-[(3-methyl-2-pyridinyl)oxy]-1,3-oxazol-5-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 167434007) has the molecular formula C22H23N5O5 and a molecular weight of 437.46 g/mol. Its IUPAC name is 4-[2-(2-hydroxypropan-2-yl)-4-[(3-methyl-2-pyridinyl)oxy]-1,3-oxazol-5-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(2-hydroxypropan-2-yl)-4-[(3-methyl-2-pyridinyl)oxy]-1,3-oxazol-5-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID167434007
Molecular FormulaC22H23N5O5
Molecular Weight437.46 g/mol
Exact Mass437.17
IUPAC Name4-[2-(2-hydroxypropan-2-yl)-4-[(3-methyl-2-pyridinyl)oxy]-1,3-oxazol-5-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(-c3oc(C(C)(C)O)nc3Oc3ncccc3C)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C22H23N5O5/c1-11-7-6-8-24-18(11)32-19-16(31-21(26-19)22(2,3)30)13-10-27(5)20(29)15-12(13)9-14(25-15)17(28)23-4/h6-10,25,30H,1-5H3,(H,23,28)
InChIKeyAVAFLEUHNWSYCE-UHFFFAOYSA-N
XLogP2.60
TPSA135.27 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[2-(2-hydroxypropan-2-yl)-4-[(3-methyl-2-pyridinyl)oxy]-1,3-oxazol-5-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxypropan-2-yl)-4-[(3-methyl-2-pyridinyl)oxy]-1,3-oxazol-5-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-[2-(2-hydroxypropan-2-yl)-4-[(3-methyl-2-pyridinyl)oxy]-1,3-oxazol-5-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 167434007) is 4-[2-(2-hydroxypropan-2-yl)-4-[(3-methyl-2-pyridinyl)oxy]-1,3-oxazol-5-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(2-hydroxypropan-2-yl)-4-[(3-methyl-2-pyridinyl)oxy]-1,3-oxazol-5-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-[2-(2-hydroxypropan-2-yl)-4-[(3-methyl-2-pyridinyl)oxy]-1,3-oxazol-5-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CNC(=O)c1cc2c(-c3oc(C(C)(C)O)nc3Oc3ncccc3C)cn(C)c(=O)c2[nH]1.
What is the InChIKey of 4-[2-(2-hydroxypropan-2-yl)-4-[(3-methyl-2-pyridinyl)oxy]-1,3-oxazol-5-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is AVAFLEUHNWSYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O5/c1-11-7-6-8-24-18(11)32-19-16(31-21(26-19)22(2,3)30)13-10-27(5)20(29)15-12(13)9-14(25-15)17(28)23-4/h6-10,25,30H,1-5H3,(H,23,28).
What are the key properties of 4-[2-(2-hydroxypropan-2-yl)-4-[(3-methyl-2-pyridinyl)oxy]-1,3-oxazol-5-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
4-[2-(2-hydroxypropan-2-yl)-4-[(3-methyl-2-pyridinyl)oxy]-1,3-oxazol-5-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 437.46 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxypropan-2-yl)-4-[(3-methyl-2-pyridinyl)oxy]-1,3-oxazol-5-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 167434007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).