2-[[2-(dimethylcarbamoylamino)-4-pyridinyl]methylamino]-N-(4-fluoro-2-methylindazol-6-yl)benzamide

C24H24FN7O2 — CID 11561691

IUPAC2-[[2-(dimethylcarbamoylamino)-4-pyridinyl]methylamino]-N-(4-fluoro-2-methylindazol-6-yl)benzamide
SMILESCN(C)C(=O)Nc1cc(CNc2ccccc2C(=O)Nc2cc(F)c3cn(C)nc3c2)ccn1
InChIInChI=1S/C24H24FN7O2/c1-31(2)24(34)29-22-10-15(8-9-26-22)13-27-20-7-5-4-6-17(20)23(33)28-16-11-19(25)18-14-32(3)30-21(18)12-16/h4-12,14,27H,13H2,1-3H3,(H,28,33)(H,26,29,34)
InChIKeyFKPKUKGKCFODIJ-UHFFFAOYSA-N
MW461.50 g/mol
LogP4.07
Rot. Bonds6

About 2-[[2-(dimethylcarbamoylamino)-4-pyridinyl]methylamino]-N-(4-fluoro-2-methylindazol-6-yl)benzamide

2-[[2-(dimethylcarbamoylamino)-4-pyridinyl]methylamino]-N-(4-fluoro-2-methylindazol-6-yl)benzamide (PubChem CID 11561691) has the molecular formula C24H24FN7O2 and a molecular weight of 461.50 g/mol. Its IUPAC name is 2-[[2-(dimethylcarbamoylamino)-4-pyridinyl]methylamino]-N-(4-fluoro-2-methylindazol-6-yl)benzamide.

Molecular Properties

Compound Name2-[[2-(dimethylcarbamoylamino)-4-pyridinyl]methylamino]-N-(4-fluoro-2-methylindazol-6-yl)benzamide
PubChem CID11561691
Molecular FormulaC24H24FN7O2
Molecular Weight461.50 g/mol
Exact Mass461.20
IUPAC Name2-[[2-(dimethylcarbamoylamino)-4-pyridinyl]methylamino]-N-(4-fluoro-2-methylindazol-6-yl)benzamide
SMILESCN(C)C(=O)Nc1cc(CNc2ccccc2C(=O)Nc2cc(F)c3cn(C)nc3c2)ccn1
InChIInChI=1S/C24H24FN7O2/c1-31(2)24(34)29-22-10-15(8-9-26-22)13-27-20-7-5-4-6-17(20)23(33)28-16-11-19(25)18-14-32(3)30-21(18)12-16/h4-12,14,27H,13H2,1-3H3,(H,28,33)(H,26,29,34)
InChIKeyFKPKUKGKCFODIJ-UHFFFAOYSA-N
XLogP4.07
TPSA104.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylcarbamoylamino)-4-pyridinyl]methylamino]-N-(4-fluoro-2-methylindazol-6-yl)benzamide?
The IUPAC name of 2-[[2-(dimethylcarbamoylamino)-4-pyridinyl]methylamino]-N-(4-fluoro-2-methylindazol-6-yl)benzamide (CID 11561691) is 2-[[2-(dimethylcarbamoylamino)-4-pyridinyl]methylamino]-N-(4-fluoro-2-methylindazol-6-yl)benzamide.
What is the SMILES notation for 2-[[2-(dimethylcarbamoylamino)-4-pyridinyl]methylamino]-N-(4-fluoro-2-methylindazol-6-yl)benzamide?
The canonical SMILES for 2-[[2-(dimethylcarbamoylamino)-4-pyridinyl]methylamino]-N-(4-fluoro-2-methylindazol-6-yl)benzamide is CN(C)C(=O)Nc1cc(CNc2ccccc2C(=O)Nc2cc(F)c3cn(C)nc3c2)ccn1.
What is the InChIKey of 2-[[2-(dimethylcarbamoylamino)-4-pyridinyl]methylamino]-N-(4-fluoro-2-methylindazol-6-yl)benzamide?
The InChIKey is FKPKUKGKCFODIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O2/c1-31(2)24(34)29-22-10-15(8-9-26-22)13-27-20-7-5-4-6-17(20)23(33)28-16-11-19(25)18-14-32(3)30-21(18)12-16/h4-12,14,27H,13H2,1-3H3,(H,28,33)(H,26,29,34).
What are the key properties of 2-[[2-(dimethylcarbamoylamino)-4-pyridinyl]methylamino]-N-(4-fluoro-2-methylindazol-6-yl)benzamide?
2-[[2-(dimethylcarbamoylamino)-4-pyridinyl]methylamino]-N-(4-fluoro-2-methylindazol-6-yl)benzamide has a molecular weight of 461.50 g/mol, XLogP of 4.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylcarbamoylamino)-4-pyridinyl]methylamino]-N-(4-fluoro-2-methylindazol-6-yl)benzamide is sourced from PubChem (CID 11561691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).