methyl 2-[[1-(5-fluoropentyl)indazole-3-carbonyl]amino]-3-methylbutanoate

C19H26FN3O3 — CID 102333975

IUPACmethyl 2-[[1-(5-fluoropentyl)indazole-3-carbonyl]amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1nn(CCCCCF)c2ccccc12)C(C)C
InChIInChI=1S/C19H26FN3O3/c1-13(2)16(19(25)26-3)21-18(24)17-14-9-5-6-10-15(14)23(22-17)12-8-4-7-11-20/h5-6,9-10,13,16H,4,7-8,11-12H2,1-3H3,(H,21,24)
InChIKeySAFXSUZMRLTBMM-UHFFFAOYSA-N
MW363.43 g/mol
LogP3.10
Rot. Bonds9

About methyl 2-[[1-(5-fluoropentyl)indazole-3-carbonyl]amino]-3-methylbutanoate

methyl 2-[[1-(5-fluoropentyl)indazole-3-carbonyl]amino]-3-methylbutanoate (PubChem CID 102333975) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is methyl 2-[[1-(5-fluoropentyl)indazole-3-carbonyl]amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[[1-(5-fluoropentyl)indazole-3-carbonyl]amino]-3-methylbutanoate
PubChem CID102333975
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC Namemethyl 2-[[1-(5-fluoropentyl)indazole-3-carbonyl]amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1nn(CCCCCF)c2ccccc12)C(C)C
InChIInChI=1S/C19H26FN3O3/c1-13(2)16(19(25)26-3)21-18(24)17-14-9-5-6-10-15(14)23(22-17)12-8-4-7-11-20/h5-6,9-10,13,16H,4,7-8,11-12H2,1-3H3,(H,21,24)
InChIKeySAFXSUZMRLTBMM-UHFFFAOYSA-N
XLogP3.10
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
Adb-butinaca
CID 155907792
(3H)granisetron
CID 3510
5F-Cumyl-PINACA
CID 86274158
AB-Chminaca
CID 44206133
Granisetron (JAN/USAN/INN)
CID 5284566
Amb-fubinaca
CID 119026173
MDMB-Fubinaca
CID 119025665
AB-Pinaca
CID 71301472
5-Fluoro-apinaca
CID 71711119
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86567422
5-Fluoro-AB-pinaca, (A+-)-
CID 102144602

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(5-fluoropentyl)indazole-3-carbonyl]amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[[1-(5-fluoropentyl)indazole-3-carbonyl]amino]-3-methylbutanoate (CID 102333975) is methyl 2-[[1-(5-fluoropentyl)indazole-3-carbonyl]amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[[1-(5-fluoropentyl)indazole-3-carbonyl]amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[[1-(5-fluoropentyl)indazole-3-carbonyl]amino]-3-methylbutanoate is COC(=O)C(NC(=O)c1nn(CCCCCF)c2ccccc12)C(C)C.
What is the InChIKey of methyl 2-[[1-(5-fluoropentyl)indazole-3-carbonyl]amino]-3-methylbutanoate?
The InChIKey is SAFXSUZMRLTBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3/c1-13(2)16(19(25)26-3)21-18(24)17-14-9-5-6-10-15(14)23(22-17)12-8-4-7-11-20/h5-6,9-10,13,16H,4,7-8,11-12H2,1-3H3,(H,21,24).
What are the key properties of methyl 2-[[1-(5-fluoropentyl)indazole-3-carbonyl]amino]-3-methylbutanoate?
methyl 2-[[1-(5-fluoropentyl)indazole-3-carbonyl]amino]-3-methylbutanoate has a molecular weight of 363.43 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(5-fluoropentyl)indazole-3-carbonyl]amino]-3-methylbutanoate is sourced from PubChem (CID 102333975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).