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

C24H23FN6O — CID 160645823

IUPACN-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide
SMILESCn1nc(-c2ccc(C(=O)NC3CC3)c(F)c2)nc1Cc1ccc2[nH]ncc2c1C1CC1
InChIInChI=1S/C24H23FN6O/c1-31-21(11-14-5-9-20-18(12-26-29-20)22(14)13-2-3-13)28-23(30-31)15-4-8-17(19(25)10-15)24(32)27-16-6-7-16/h4-5,8-10,12-13,16H,2-3,6-7,11H2,1H3,(H,26,29)(H,27,32)
InChIKeyRJTRFQARFMOUFJ-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.86
Rot. Bonds6

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

N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide (PubChem CID 160645823) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide
PubChem CID160645823
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC NameN-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide
SMILESCn1nc(-c2ccc(C(=O)NC3CC3)c(F)c2)nc1Cc1ccc2[nH]ncc2c1C1CC1
InChIInChI=1S/C24H23FN6O/c1-31-21(11-14-5-9-20-18(12-26-29-20)22(14)13-2-3-13)28-23(30-31)15-4-8-17(19(25)10-15)24(32)27-16-6-7-16/h4-5,8-10,12-13,16H,2-3,6-7,11H2,1H3,(H,26,29)(H,27,32)
InChIKeyRJTRFQARFMOUFJ-UHFFFAOYSA-N
XLogP3.86
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-5-[[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]-1H-indazole
CID 160586655
N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide
CID 159487949
4-cyclopropyl-5-[[5-[4-(2-ethyl-5-methyl-1H-imidazol-4-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole
CID 157412606
4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide
CID 155792080
2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 160847165
2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-pyrrolidin-3-ylacetamide
CID 159331905
4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 158284983
2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 159341447
1-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]butan-1-one
CID 159207842
4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,5-difluorobenzamide
CID 160952338
N-ethyl-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]-2-(trifluoromethyl)benzamide
CID 159186677
6-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 158262601

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide?
The IUPAC name of N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide (CID 160645823) is N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide.
What is the SMILES notation for N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide?
The canonical SMILES for N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide is Cn1nc(-c2ccc(C(=O)NC3CC3)c(F)c2)nc1Cc1ccc2[nH]ncc2c1C1CC1.
What is the InChIKey of N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide?
The InChIKey is RJTRFQARFMOUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O/c1-31-21(11-14-5-9-20-18(12-26-29-20)22(14)13-2-3-13)28-23(30-31)15-4-8-17(19(25)10-15)24(32)27-16-6-7-16/h4-5,8-10,12-13,16H,2-3,6-7,11H2,1H3,(H,26,29)(H,27,32).
What are the key properties of N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide?
N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide has a molecular weight of 430.49 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide is sourced from PubChem (CID 160645823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).