N-cyclopropyl-3-[5-[5-(2-fluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide

C21H19FN6O — CID 121378196

IUPACN-cyclopropyl-3-[5-[5-(2-fluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide
SMILESO=C(NC1CC1)c1cccc(-c2n[nH]c3ccc(-c4n[nH]c(CCF)n4)cc23)c1
InChIInChI=1S/C21H19FN6O/c22-9-8-18-24-20(28-26-18)13-4-7-17-16(11-13)19(27-25-17)12-2-1-3-14(10-12)21(29)23-15-5-6-15/h1-4,7,10-11,15H,5-6,8-9H2,(H,23,29)(H,25,27)(H,24,26,28)
InChIKeyZJIVFSMSEXIWOZ-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.42
Rot. Bonds6

About N-cyclopropyl-3-[5-[5-(2-fluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide

N-cyclopropyl-3-[5-[5-(2-fluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide (PubChem CID 121378196) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is N-cyclopropyl-3-[5-[5-(2-fluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[5-[5-(2-fluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide
PubChem CID121378196
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC NameN-cyclopropyl-3-[5-[5-(2-fluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide
SMILESO=C(NC1CC1)c1cccc(-c2n[nH]c3ccc(-c4n[nH]c(CCF)n4)cc23)c1
InChIInChI=1S/C21H19FN6O/c22-9-8-18-24-20(28-26-18)13-4-7-17-16(11-13)19(27-25-17)12-2-1-3-14(10-12)21(29)23-15-5-6-15/h1-4,7,10-11,15H,5-6,8-9H2,(H,23,29)(H,25,27)(H,24,26,28)
InChIKeyZJIVFSMSEXIWOZ-UHFFFAOYSA-N
XLogP3.42
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[5-[5-(2-fluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-3-[5-[5-(2-fluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide (CID 121378196) is N-cyclopropyl-3-[5-[5-(2-fluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[5-[5-(2-fluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-3-[5-[5-(2-fluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide is O=C(NC1CC1)c1cccc(-c2n[nH]c3ccc(-c4n[nH]c(CCF)n4)cc23)c1.
What is the InChIKey of N-cyclopropyl-3-[5-[5-(2-fluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide?
The InChIKey is ZJIVFSMSEXIWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O/c22-9-8-18-24-20(28-26-18)13-4-7-17-16(11-13)19(27-25-17)12-2-1-3-14(10-12)21(29)23-15-5-6-15/h1-4,7,10-11,15H,5-6,8-9H2,(H,23,29)(H,25,27)(H,24,26,28).
What are the key properties of N-cyclopropyl-3-[5-[5-(2-fluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide?
N-cyclopropyl-3-[5-[5-(2-fluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide has a molecular weight of 390.42 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[5-[5-(2-fluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 121378196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).