2-methyl-N-[(1S)-2-[[5-(oxan-4-yl)-1,2-oxazol-3-yl]amino]-2-oxo-1-spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ylethyl]pyrazole-3-carboxamide

C26H29N5O4 — CID 170023393

IUPAC2-methyl-N-[(1S)-2-[[5-(oxan-4-yl)-1,2-oxazol-3-yl]amino]-2-oxo-1-spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ylethyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N[C@H](C(=O)Nc1cc(C2CCOCC2)on1)C1c2ccccc2CC12CC2
InChIInChI=1S/C26H29N5O4/c1-31-19(6-11-27-31)24(32)29-23(22-18-5-3-2-4-17(18)15-26(22)9-10-26)25(33)28-21-14-20(35-30-21)16-7-12-34-13-8-16/h2-6,11,14,16,22-23H,7-10,12-13,15H2,1H3,(H,29,32)(H,28,30,33)/t22?,23-/m0/s1
InChIKeyCQDDBDIFNQTSCG-WCSIJFPASA-N
MW475.55 g/mol
LogP3.16
Rot. Bonds6

About 2-methyl-N-[(1S)-2-[[5-(oxan-4-yl)-1,2-oxazol-3-yl]amino]-2-oxo-1-spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ylethyl]pyrazole-3-carboxamide

2-methyl-N-[(1S)-2-[[5-(oxan-4-yl)-1,2-oxazol-3-yl]amino]-2-oxo-1-spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ylethyl]pyrazole-3-carboxamide (PubChem CID 170023393) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-2-[[5-(oxan-4-yl)-1,2-oxazol-3-yl]amino]-2-oxo-1-spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ylethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-2-[[5-(oxan-4-yl)-1,2-oxazol-3-yl]amino]-2-oxo-1-spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ylethyl]pyrazole-3-carboxamide
PubChem CID170023393
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC Name2-methyl-N-[(1S)-2-[[5-(oxan-4-yl)-1,2-oxazol-3-yl]amino]-2-oxo-1-spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ylethyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N[C@H](C(=O)Nc1cc(C2CCOCC2)on1)C1c2ccccc2CC12CC2
InChIInChI=1S/C26H29N5O4/c1-31-19(6-11-27-31)24(32)29-23(22-18-5-3-2-4-17(18)15-26(22)9-10-26)25(33)28-21-14-20(35-30-21)16-7-12-34-13-8-16/h2-6,11,14,16,22-23H,7-10,12-13,15H2,1H3,(H,29,32)(H,28,30,33)/t22?,23-/m0/s1
InChIKeyCQDDBDIFNQTSCG-WCSIJFPASA-N
XLogP3.16
TPSA111.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-2-[[5-(oxan-4-yl)-1,2-oxazol-3-yl]amino]-2-oxo-1-spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ylethyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[(1S)-2-[[5-(oxan-4-yl)-1,2-oxazol-3-yl]amino]-2-oxo-1-spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ylethyl]pyrazole-3-carboxamide (CID 170023393) is 2-methyl-N-[(1S)-2-[[5-(oxan-4-yl)-1,2-oxazol-3-yl]amino]-2-oxo-1-spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ylethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1S)-2-[[5-(oxan-4-yl)-1,2-oxazol-3-yl]amino]-2-oxo-1-spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ylethyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(1S)-2-[[5-(oxan-4-yl)-1,2-oxazol-3-yl]amino]-2-oxo-1-spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ylethyl]pyrazole-3-carboxamide is Cn1nccc1C(=O)N[C@H](C(=O)Nc1cc(C2CCOCC2)on1)C1c2ccccc2CC12CC2.
What is the InChIKey of 2-methyl-N-[(1S)-2-[[5-(oxan-4-yl)-1,2-oxazol-3-yl]amino]-2-oxo-1-spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ylethyl]pyrazole-3-carboxamide?
The InChIKey is CQDDBDIFNQTSCG-WCSIJFPASA-N. The full InChI is InChI=1S/C26H29N5O4/c1-31-19(6-11-27-31)24(32)29-23(22-18-5-3-2-4-17(18)15-26(22)9-10-26)25(33)28-21-14-20(35-30-21)16-7-12-34-13-8-16/h2-6,11,14,16,22-23H,7-10,12-13,15H2,1H3,(H,29,32)(H,28,30,33)/t22?,23-/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-2-[[5-(oxan-4-yl)-1,2-oxazol-3-yl]amino]-2-oxo-1-spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ylethyl]pyrazole-3-carboxamide?
2-methyl-N-[(1S)-2-[[5-(oxan-4-yl)-1,2-oxazol-3-yl]amino]-2-oxo-1-spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ylethyl]pyrazole-3-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-2-[[5-(oxan-4-yl)-1,2-oxazol-3-yl]amino]-2-oxo-1-spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ylethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 170023393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).