(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone

C23H22N4O2 — CID 51965329

IUPAC(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
SMILESCc1noc2nc(C3CC3)cc(C(=O)N3CCc4c([nH]c5ccccc45)[C@@H]3C)c12
InChIInChI=1S/C23H22N4O2/c1-12-20-17(11-19(14-7-8-14)25-22(20)29-26-12)23(28)27-10-9-16-15-5-3-4-6-18(15)24-21(16)13(27)2/h3-6,11,13-14,24H,7-10H2,1-2H3/t13-/m0/s1
InChIKeyGVQDQWFLMVEXCE-ZDUSSCGKSA-N
MW386.46 g/mol
LogP4.65
Rot. Bonds2

About (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone

(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone (PubChem CID 51965329) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone.

Molecular Properties

Compound Name(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
PubChem CID51965329
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
SMILESCc1noc2nc(C3CC3)cc(C(=O)N3CCc4c([nH]c5ccccc45)[C@@H]3C)c12
InChIInChI=1S/C23H22N4O2/c1-12-20-17(11-19(14-7-8-14)25-22(20)29-26-12)23(28)27-10-9-16-15-5-3-4-6-18(15)24-21(16)13(27)2/h3-6,11,13-14,24H,7-10H2,1-2H3/t13-/m0/s1
InChIKeyGVQDQWFLMVEXCE-ZDUSSCGKSA-N
XLogP4.65
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone with MolForge

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Related Compounds

[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 52532452
2-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 119212521
[4-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 43055459
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2,4-dimethylpiperazin-1-yl]methanone
CID 97067282
3,6-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 90489328
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 40875796
(2-methylpyrazol-3-yl)-[(1R)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
CID 94825109
(1S)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 95195713
naphthalen-1-ylmethyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 86776570
methyl 1-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carboxylate
CID 78842938
1-[(1R)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-one
CID 94208009
2-benzoyloxyethyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 43056538

Frequently Asked Questions

What is the IUPAC name of (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone?
The IUPAC name of (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone (CID 51965329) is (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone.
What is the SMILES notation for (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone?
The canonical SMILES for (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone is Cc1noc2nc(C3CC3)cc(C(=O)N3CCc4c([nH]c5ccccc45)[C@@H]3C)c12.
What is the InChIKey of (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone?
The InChIKey is GVQDQWFLMVEXCE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-12-20-17(11-19(14-7-8-14)25-22(20)29-26-12)23(28)27-10-9-16-15-5-3-4-6-18(15)24-21(16)13(27)2/h3-6,11,13-14,24H,7-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone?
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone has a molecular weight of 386.46 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone is sourced from PubChem (CID 51965329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).