N-cyclopropyl-3-fluoro-4-methyl-5-[1-(4-morpholin-4-ylphenyl)indazol-5-yl]benzamide

C28H27FN4O2 — CID 11518436

IUPACN-cyclopropyl-3-fluoro-4-methyl-5-[1-(4-morpholin-4-ylphenyl)indazol-5-yl]benzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2-c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C28H27FN4O2/c1-18-25(15-20(16-26(18)29)28(34)31-22-3-4-22)19-2-9-27-21(14-19)17-30-33(27)24-7-5-23(6-8-24)32-10-12-35-13-11-32/h2,5-9,14-17,22H,3-4,10-13H2,1H3,(H,31,34)
InChIKeyMQPKTLDLCANUGI-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.87
Rot. Bonds5

About N-cyclopropyl-3-fluoro-4-methyl-5-[1-(4-morpholin-4-ylphenyl)indazol-5-yl]benzamide

N-cyclopropyl-3-fluoro-4-methyl-5-[1-(4-morpholin-4-ylphenyl)indazol-5-yl]benzamide (PubChem CID 11518436) has the molecular formula C28H27FN4O2 and a molecular weight of 470.55 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-4-methyl-5-[1-(4-morpholin-4-ylphenyl)indazol-5-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-4-methyl-5-[1-(4-morpholin-4-ylphenyl)indazol-5-yl]benzamide
PubChem CID11518436
Molecular FormulaC28H27FN4O2
Molecular Weight470.55 g/mol
Exact Mass470.21
IUPAC NameN-cyclopropyl-3-fluoro-4-methyl-5-[1-(4-morpholin-4-ylphenyl)indazol-5-yl]benzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2-c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C28H27FN4O2/c1-18-25(15-20(16-26(18)29)28(34)31-22-3-4-22)19-2-9-27-21(14-19)17-30-33(27)24-7-5-23(6-8-24)32-10-12-35-13-11-32/h2,5-9,14-17,22H,3-4,10-13H2,1H3,(H,31,34)
InChIKeyMQPKTLDLCANUGI-UHFFFAOYSA-N
XLogP4.87
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-5-[1-(4-morpholin-4-ylphenyl)indazol-5-yl]benzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-5-[1-(4-morpholin-4-ylphenyl)indazol-5-yl]benzamide (CID 11518436) is N-cyclopropyl-3-fluoro-4-methyl-5-[1-(4-morpholin-4-ylphenyl)indazol-5-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-4-methyl-5-[1-(4-morpholin-4-ylphenyl)indazol-5-yl]benzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-4-methyl-5-[1-(4-morpholin-4-ylphenyl)indazol-5-yl]benzamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2-c2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of N-cyclopropyl-3-fluoro-4-methyl-5-[1-(4-morpholin-4-ylphenyl)indazol-5-yl]benzamide?
The InChIKey is MQPKTLDLCANUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O2/c1-18-25(15-20(16-26(18)29)28(34)31-22-3-4-22)19-2-9-27-21(14-19)17-30-33(27)24-7-5-23(6-8-24)32-10-12-35-13-11-32/h2,5-9,14-17,22H,3-4,10-13H2,1H3,(H,31,34).
What are the key properties of N-cyclopropyl-3-fluoro-4-methyl-5-[1-(4-morpholin-4-ylphenyl)indazol-5-yl]benzamide?
N-cyclopropyl-3-fluoro-4-methyl-5-[1-(4-morpholin-4-ylphenyl)indazol-5-yl]benzamide has a molecular weight of 470.55 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-4-methyl-5-[1-(4-morpholin-4-ylphenyl)indazol-5-yl]benzamide is sourced from PubChem (CID 11518436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).