methyl 3-[4-(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-2-methylpiperazin-1-yl]propanoate

C22H30N4O4 — CID 75447897

IUPACmethyl 3-[4-(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-2-methylpiperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(C(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)CC1C
InChIInChI=1S/C22H30N4O4/c1-13(2)20-19-16(11-17(15-5-6-15)23-21(19)30-24-20)22(28)26-10-9-25(14(3)12-26)8-7-18(27)29-4/h11,13-15H,5-10,12H2,1-4H3
InChIKeyKBGGEIOFHHIBDU-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.93
Rot. Bonds6

About methyl 3-[4-(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-2-methylpiperazin-1-yl]propanoate

methyl 3-[4-(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-2-methylpiperazin-1-yl]propanoate (PubChem CID 75447897) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is methyl 3-[4-(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-2-methylpiperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-2-methylpiperazin-1-yl]propanoate
PubChem CID75447897
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Namemethyl 3-[4-(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-2-methylpiperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(C(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)CC1C
InChIInChI=1S/C22H30N4O4/c1-13(2)20-19-16(11-17(15-5-6-15)23-21(19)30-24-20)22(28)26-10-9-25(14(3)12-26)8-7-18(27)29-4/h11,13-15H,5-10,12H2,1-4H3
InChIKeyKBGGEIOFHHIBDU-UHFFFAOYSA-N
XLogP2.93
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-[4-(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-2-methylpiperazin-1-yl]propanoate with MolForge

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Related Compounds

(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561721
6-cyclopropyl-N-(1-hydroxypropan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78875339
N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 120504755
N-(2-amino-2-methylpropyl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119627996
N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 120504754
6-cyclopropyl-N-(3-hydroxypropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78876018
6-cyclopropyl-N-(3-piperazin-1-ylpropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119392472
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 40875796
6-cyclopropyl-N-(1-hydroxybutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 110891714
(2R)-2-[(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119368348
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95337490
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2,4-dimethylpiperazin-1-yl]methanone
CID 97067282

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-2-methylpiperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-2-methylpiperazin-1-yl]propanoate (CID 75447897) is methyl 3-[4-(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-2-methylpiperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-2-methylpiperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-2-methylpiperazin-1-yl]propanoate is COC(=O)CCN1CCN(C(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)CC1C.
What is the InChIKey of methyl 3-[4-(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-2-methylpiperazin-1-yl]propanoate?
The InChIKey is KBGGEIOFHHIBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-13(2)20-19-16(11-17(15-5-6-15)23-21(19)30-24-20)22(28)26-10-9-25(14(3)12-26)8-7-18(27)29-4/h11,13-15H,5-10,12H2,1-4H3.
What are the key properties of methyl 3-[4-(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-2-methylpiperazin-1-yl]propanoate?
methyl 3-[4-(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-2-methylpiperazin-1-yl]propanoate has a molecular weight of 414.51 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-2-methylpiperazin-1-yl]propanoate is sourced from PubChem (CID 75447897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).