[5-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone

C26H33N5O3 — CID 45164346

IUPAC[5-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
SMILESCCCn1nc(C(=O)N2CCOCC2)c2c1CCC(N(C)Cc1cc(-c3ccccc3)on1)C2
InChIInChI=1S/C26H33N5O3/c1-3-11-31-23-10-9-21(17-22(23)25(27-31)26(32)30-12-14-33-15-13-30)29(2)18-20-16-24(34-28-20)19-7-5-4-6-8-19/h4-8,16,21H,3,9-15,17-18H2,1-2H3
InChIKeyFGGWCXTVUNYMEI-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.41
Rot. Bonds7

About [5-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone

[5-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 45164346) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is [5-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
PubChem CID45164346
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name[5-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
SMILESCCCn1nc(C(=O)N2CCOCC2)c2c1CCC(N(C)Cc1cc(-c3ccccc3)on1)C2
InChIInChI=1S/C26H33N5O3/c1-3-11-31-23-10-9-21(17-22(23)25(27-31)26(32)30-12-14-33-15-13-30)29(2)18-20-16-24(34-28-20)19-7-5-4-6-8-19/h4-8,16,21H,3,9-15,17-18H2,1-2H3
InChIKeyFGGWCXTVUNYMEI-UHFFFAOYSA-N
XLogP3.41
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[5-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone
CID 45164969
[5-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45161185
[(5S)-5-[butyl(methyl)amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26228411
[(5S)-1-ethyl-5-[(5-phenyl-1,2-oxazol-3-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 26227307
(5S)-5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 95228054
morpholin-4-yl-[(5S)-1-propyl-5-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 26231913
(5-morpholin-4-yl-1-propyl-4,5,6,7-tetrahydroindazol-3-yl)-thiomorpholin-4-ylmethanone
CID 45165359
[1-ethyl-5-[methyl(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 45164597
(5-hydroxy-1-propyl-4,5,6,7-tetrahydroindazol-3-yl)-thiomorpholin-4-ylmethanone
CID 131892611
5-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 56716905
(5R)-5-[methyl-[[2-(methylamino)pyrimidin-5-yl]methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 95202249
(5R)-1-ethyl-5-[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 95221782

Frequently Asked Questions

What is the IUPAC name of [5-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone (CID 45164346) is [5-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone is CCCn1nc(C(=O)N2CCOCC2)c2c1CCC(N(C)Cc1cc(-c3ccccc3)on1)C2.
What is the InChIKey of [5-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is FGGWCXTVUNYMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-3-11-31-23-10-9-21(17-22(23)25(27-31)26(32)30-12-14-33-15-13-30)29(2)18-20-16-24(34-28-20)19-7-5-4-6-8-19/h4-8,16,21H,3,9-15,17-18H2,1-2H3.
What are the key properties of [5-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?
[5-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 463.58 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 45164346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).