N-[4-(dimethylamino)-1-methylindazol-3-yl]-4-fluorobenzamide

C17H17FN4O — CID 2813217

IUPACN-[4-(dimethylamino)-1-methylindazol-3-yl]-4-fluorobenzamide
SMILESCN(C)c1cccc2c1c(NC(=O)c1ccc(F)cc1)nn2C
InChIInChI=1S/C17H17FN4O/c1-21(2)13-5-4-6-14-15(13)16(20-22(14)3)19-17(23)11-7-9-12(18)10-8-11/h4-10H,1-3H3,(H,19,20,23)
InChIKeyKQAYQVLKWQVCGO-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.03
Rot. Bonds3

About N-[4-(dimethylamino)-1-methylindazol-3-yl]-4-fluorobenzamide

N-[4-(dimethylamino)-1-methylindazol-3-yl]-4-fluorobenzamide (PubChem CID 2813217) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is N-[4-(dimethylamino)-1-methylindazol-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-1-methylindazol-3-yl]-4-fluorobenzamide
PubChem CID2813217
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC NameN-[4-(dimethylamino)-1-methylindazol-3-yl]-4-fluorobenzamide
SMILESCN(C)c1cccc2c1c(NC(=O)c1ccc(F)cc1)nn2C
InChIInChI=1S/C17H17FN4O/c1-21(2)13-5-4-6-14-15(13)16(20-22(14)3)19-17(23)11-7-9-12(18)10-8-11/h4-10H,1-3H3,(H,19,20,23)
InChIKeyKQAYQVLKWQVCGO-UHFFFAOYSA-N
XLogP3.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-1-methylindazol-3-yl]-4-fluorobenzamide?
The IUPAC name of N-[4-(dimethylamino)-1-methylindazol-3-yl]-4-fluorobenzamide (CID 2813217) is N-[4-(dimethylamino)-1-methylindazol-3-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-(dimethylamino)-1-methylindazol-3-yl]-4-fluorobenzamide?
The canonical SMILES for N-[4-(dimethylamino)-1-methylindazol-3-yl]-4-fluorobenzamide is CN(C)c1cccc2c1c(NC(=O)c1ccc(F)cc1)nn2C.
What is the InChIKey of N-[4-(dimethylamino)-1-methylindazol-3-yl]-4-fluorobenzamide?
The InChIKey is KQAYQVLKWQVCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-21(2)13-5-4-6-14-15(13)16(20-22(14)3)19-17(23)11-7-9-12(18)10-8-11/h4-10H,1-3H3,(H,19,20,23).
What are the key properties of N-[4-(dimethylamino)-1-methylindazol-3-yl]-4-fluorobenzamide?
N-[4-(dimethylamino)-1-methylindazol-3-yl]-4-fluorobenzamide has a molecular weight of 312.35 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-1-methylindazol-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 2813217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).