6-cyclopropyl-3-(2,2-dimethylpropyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H27N5O2 — CID 138998287

IUPAC6-cyclopropyl-3-(2,2-dimethylpropyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NC3CCc4nc[nH]c4C3)c12
InChIInChI=1S/C22H27N5O2/c1-22(2,3)10-18-19-14(9-16(12-4-5-12)26-21(19)29-27-18)20(28)25-13-6-7-15-17(8-13)24-11-23-15/h9,11-13H,4-8,10H2,1-3H3,(H,23,24)(H,25,28)
InChIKeyGNNHTWZJWIEQLE-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.70
Rot. Bonds4

About 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-3-(2,2-dimethylpropyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 138998287) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-(2,2-dimethylpropyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID138998287
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name6-cyclopropyl-3-(2,2-dimethylpropyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NC3CCc4nc[nH]c4C3)c12
InChIInChI=1S/C22H27N5O2/c1-22(2,3)10-18-19-14(9-16(12-4-5-12)26-21(19)29-27-18)20(28)25-13-6-7-15-17(8-13)24-11-23-15/h9,11-13H,4-8,10H2,1-3H3,(H,23,24)(H,25,28)
InChIKeyGNNHTWZJWIEQLE-UHFFFAOYSA-N
XLogP3.70
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 138998287) is 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NC3CCc4nc[nH]c4C3)c12.
What is the InChIKey of 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is GNNHTWZJWIEQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-22(2,3)10-18-19-14(9-16(12-4-5-12)26-21(19)29-27-18)20(28)25-13-6-7-15-17(8-13)24-11-23-15/h9,11-13H,4-8,10H2,1-3H3,(H,23,24)(H,25,28).
What are the key properties of 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-3-(2,2-dimethylpropyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 138998287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).